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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (676)
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Triazoles (194)
Isoxazoles (95)
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1 – 15 of 905 results
1

2,5-Dimethyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 23000-14-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD03011595 InChI Key: LHGRUGVXZLHYKE-UHFFFAOYSA-N Synonym: 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid PubChem CID: 2795465 IUPAC Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid SMILES: CC1=C(N=C(O1)C)C(=O)O

PubChem CID 2795465
CAS 23000-14-8
Molecular Weight (g/mol) 141.126
MDL Number MFCD03011595
SMILES CC1=C(N=C(O1)C)C(=O)O
Synonym 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid
IUPAC Name 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
InChI Key LHGRUGVXZLHYKE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
2

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™

CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1

PubChem CID 2795418
CAS 499770-76-2
Molecular Weight (g/mol) 226.077
SMILES CN1C2=C(C=C(C=C2)CBr)N=N1
Synonym 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole
IUPAC Name 5-(bromomethyl)-1-methylbenzotriazole
InChI Key OSUZHHPMRAIJDY-UHFFFAOYSA-N
Molecular Formula C8H8BrN3
3

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
4

(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 61291-91-6 Molecular Formula: C11H11NOS Molecular Weight (g/mol): 205.275 MDL Number: MFCD01928782 InChI Key: JSIPFWSPCWZJIU-UHFFFAOYSA-N Synonym: 4-methyl-2-phenyl-1,3-thiazol-5-yl methanol,4-methyl-2-phenylthiazol-5-yl methanol,4-methyl-2-phenyl-thiazol-5-yl-methanol,4-methyl-2-phenyl-1,3-thiazol-5-yl methan-1-ol,4-methyl-2-phenyl-5-thiazolemethanol,5-hydroxymethyl-4-methyl-2-phenylthiazole PubChem CID: 736541 IUPAC Name: (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)CO

PubChem CID 736541
CAS 61291-91-6
Molecular Weight (g/mol) 205.275
MDL Number MFCD01928782
SMILES CC1=C(SC(=N1)C2=CC=CC=C2)CO
Synonym 4-methyl-2-phenyl-1,3-thiazol-5-yl methanol,4-methyl-2-phenylthiazol-5-yl methanol,4-methyl-2-phenyl-thiazol-5-yl-methanol,4-methyl-2-phenyl-1,3-thiazol-5-yl methan-1-ol,4-methyl-2-phenyl-5-thiazolemethanol,5-hydroxymethyl-4-methyl-2-phenylthiazole
IUPAC Name (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
InChI Key JSIPFWSPCWZJIU-UHFFFAOYSA-N
Molecular Formula C11H11NOS
5

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
6
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4-(4-Fluorophenyl)imidazole, 97%

CAS: 65020-70-4 Molecular Formula: C9H7FN2 Molecular Weight (g/mol): 162.167 MDL Number: MFCD00297041 InChI Key: QYDAFWKRBZYBOB-UHFFFAOYSA-N Synonym: 4-4-fluorophenyl-1h-imidazole,5-4-fluorophenyl-1h-imidazole,1h-imidazole,5-4-fluorophenyl,4-4-fluoro-phenyl-1h-imidazole,regid_for_cid_657876,5-4-fluorophenyl-3h-imidazole,4-4-fluorophenyl-1h-imidazole, 9,1h-imidazole, 5-4-fluorophenyl,3sq PubChem CID: 657876 IUPAC Name: 5-(4-fluorophenyl)-1H-imidazole SMILES: C1=CC(=CC=C1C2=CN=CN2)F

PubChem CID 657876
CAS 65020-70-4
Molecular Weight (g/mol) 162.167
MDL Number MFCD00297041
SMILES C1=CC(=CC=C1C2=CN=CN2)F
Synonym 4-4-fluorophenyl-1h-imidazole,5-4-fluorophenyl-1h-imidazole,1h-imidazole,5-4-fluorophenyl,4-4-fluoro-phenyl-1h-imidazole,regid_for_cid_657876,5-4-fluorophenyl-3h-imidazole,4-4-fluorophenyl-1h-imidazole, 9,1h-imidazole, 5-4-fluorophenyl,3sq
IUPAC Name 5-(4-fluorophenyl)-1H-imidazole
InChI Key QYDAFWKRBZYBOB-UHFFFAOYSA-N
Molecular Formula C9H7FN2
7
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Raltegravir potassium salt

CAS: 871038-72-1 Molecular Formula: C20H20FKN6O5 Molecular Weight (g/mol): 482.51 InChI Key: IFUKBHBISRAZTF-UHFFFAOYSA-M Synonym: raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide PubChem CID: 23668479 IUPAC Name: potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]

PubChem CID 23668479
CAS 871038-72-1
Molecular Weight (g/mol) 482.51
SMILES CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
Synonym raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide
IUPAC Name potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate
InChI Key IFUKBHBISRAZTF-UHFFFAOYSA-M
Molecular Formula C20H20FKN6O5
8
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2,5-Bis(4-biphenylyl)-1,3,4-oxadiazole, 99%, Thermo Scientific Chemicals

CAS: 2043-06-3 MDL Number: MFCD00042666

CAS 2043-06-3
MDL Number MFCD00042666
9
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2-Chloro-1-methylbenzimidazole, Thermo Scientific Chemicals

CAS: 1849-02-1 Molecular Formula: C8H7ClN2 Molecular Weight (g/mol): 166.61 MDL Number: MFCD00769821 InChI Key: UXZYKSFMGDWHGJ-UHFFFAOYSA-N Synonym: 2-chloro-1-methyl-1h-benzo d imidazole,2-chloro-1-methyl-1h-benzimidazole,2-chloro-1-methyl-1h-benzoimidazole,2-chloro-1-methyl-1,3-benzodiazole,1-methyl-1h-benzo d imidazol-2-yl chloride,2-chloro-1-methyl-1h-1,3-benzodiazole,1-methyl-2-chlorobenzimidazole,2-chloro-1-methyl-benzimidazole,1h-benzimidazole, 2-chloro-1-methyl,acmc-209em7 PubChem CID: 663080 IUPAC Name: 2-chloro-1-methylbenzimidazole SMILES: CN1C(Cl)=NC2=CC=CC=C12

PubChem CID 663080
CAS 1849-02-1
Molecular Weight (g/mol) 166.61
MDL Number MFCD00769821
SMILES CN1C(Cl)=NC2=CC=CC=C12
Synonym 2-chloro-1-methyl-1h-benzo d imidazole,2-chloro-1-methyl-1h-benzimidazole,2-chloro-1-methyl-1h-benzoimidazole,2-chloro-1-methyl-1,3-benzodiazole,1-methyl-1h-benzo d imidazol-2-yl chloride,2-chloro-1-methyl-1h-1,3-benzodiazole,1-methyl-2-chlorobenzimidazole,2-chloro-1-methyl-benzimidazole,1h-benzimidazole, 2-chloro-1-methyl,acmc-209em7
IUPAC Name 2-chloro-1-methylbenzimidazole
InChI Key UXZYKSFMGDWHGJ-UHFFFAOYSA-N
Molecular Formula C8H7ClN2
10
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1-Allylimidazole, 97%

CAS: 31410-01-2 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00037894 InChI Key: XLXCHZCQTCBUOX-UHFFFAOYSA-N Synonym: 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # PubChem CID: 35794 IUPAC Name: 1-prop-2-enylimidazole SMILES: C=CCN1C=CN=C1

PubChem CID 35794
CAS 31410-01-2
Molecular Weight (g/mol) 108.14
MDL Number MFCD00037894
SMILES C=CCN1C=CN=C1
Synonym 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole #
IUPAC Name 1-prop-2-enylimidazole
InChI Key XLXCHZCQTCBUOX-UHFFFAOYSA-N
Molecular Formula C6H8N2
11

Astemizole, 99+%

CAS: 68844-77-9 Molecular Formula: C28H31FN4O Molecular Weight (g/mol): 458.581 MDL Number: MFCD00153919 InChI Key: GXDALQBWZGODGZ-UHFFFAOYSA-N Synonym: astemizole,hismanal,histaminos,paralergin,laridal,retolen,alermizol,astemison,astemizol,histamen PubChem CID: 2247 ChEBI: CHEBI:2896 IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

PubChem CID 2247
CAS 68844-77-9
Molecular Weight (g/mol) 458.581
ChEBI CHEBI:2896
MDL Number MFCD00153919
SMILES COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
Synonym astemizole,hismanal,histaminos,paralergin,laridal,retolen,alermizol,astemison,astemizol,histamen
IUPAC Name 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
InChI Key GXDALQBWZGODGZ-UHFFFAOYSA-N
Molecular Formula C28H31FN4O
12
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1-Ethyl-3-methylimidazolium thiocyanate, 98%, Thermo Scientific Chemicals

CAS: 331717-63-6 Molecular Formula: C7H11N3S Molecular Weight (g/mol): 169.246 MDL Number: MFCD06798182 InChI Key: VASPYXGQVWPGAB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium thiocyanate,basionics™ vs 01,dsstox_cid_27860,dsstox_rid_82613,dsstox_gsid_47884,1-methyl-3-ethylimidazolium thiocyanate,1-ethyl-3-methyl imidazolium thio-cyanate,1-ethyl-3-methyl-1h-imidazol-3-ium thiocyanate,1-ethyl-3-methylimidazolium thiocyanate h-nmr, hplc,1-ethyl-3-methylimidazolium thiocyanate, for electrochemistry t PubChem CID: 16211115 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;thiocyanate SMILES: CCN1C=C[N+](=C1)C.C(#N)[S-]

PubChem CID 16211115
CAS 331717-63-6
Molecular Weight (g/mol) 169.246
MDL Number MFCD06798182
SMILES CCN1C=C[N+](=C1)C.C(#N)[S-]
Synonym 1-ethyl-3-methylimidazolium thiocyanate,basionics™ vs 01,dsstox_cid_27860,dsstox_rid_82613,dsstox_gsid_47884,1-methyl-3-ethylimidazolium thiocyanate,1-ethyl-3-methyl imidazolium thio-cyanate,1-ethyl-3-methyl-1h-imidazol-3-ium thiocyanate,1-ethyl-3-methylimidazolium thiocyanate h-nmr, hplc,1-ethyl-3-methylimidazolium thiocyanate, for electrochemistry t
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;thiocyanate
InChI Key VASPYXGQVWPGAB-UHFFFAOYSA-M
Molecular Formula C7H11N3S
13

Methyl 1-methyl-1H-imidazole-4-carboxylate, 97%, Thermo Scientific™

CAS: 17289-19-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD02179561 InChI Key: KZPZTVKOJSKVBV-UHFFFAOYSA-N Synonym: methyl 1-methyl-1h-imidazole-4-carboxylate,1-methyl-1h-imidazole-4-carboxylic acid methyl ester,1h-imidazole-4-carboxylic acid, 1-methyl-, methyl ester,pubchem9002,acmc-209e5g,methyl1-methyl-1h-imidazole-4-carboxylate,ksc534i0d,methyl 1-methylimidazol-4-carboxylate,methyl 1-methyl-1h-imidazole-carboxylate,4-methoxycarbonyl-1-methyl-1h-imidazole PubChem CID: 2773510 IUPAC Name: methyl 1-methylimidazole-4-carboxylate SMILES: CN1C=C(N=C1)C(=O)OC

PubChem CID 2773510
CAS 17289-19-9
Molecular Weight (g/mol) 140.142
MDL Number MFCD02179561
SMILES CN1C=C(N=C1)C(=O)OC
Synonym methyl 1-methyl-1h-imidazole-4-carboxylate,1-methyl-1h-imidazole-4-carboxylic acid methyl ester,1h-imidazole-4-carboxylic acid, 1-methyl-, methyl ester,pubchem9002,acmc-209e5g,methyl1-methyl-1h-imidazole-4-carboxylate,ksc534i0d,methyl 1-methylimidazol-4-carboxylate,methyl 1-methyl-1h-imidazole-carboxylate,4-methoxycarbonyl-1-methyl-1h-imidazole
IUPAC Name methyl 1-methylimidazole-4-carboxylate
InChI Key KZPZTVKOJSKVBV-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
14
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1H-Imidazole-4-carboxylic acid, 98%

CAS: 1072-84-0 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00082203 InChI Key: NKWCGTOZTHZDHB-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid PubChem CID: 14080 IUPAC Name: 1H-imidazole-5-carboxylic acid SMILES: OC(=O)C1=CN=CN1

PubChem CID 14080
CAS 1072-84-0
Molecular Weight (g/mol) 112.09
MDL Number MFCD00082203
SMILES OC(=O)C1=CN=CN1
Synonym 1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid
IUPAC Name 1H-imidazole-5-carboxylic acid
InChI Key NKWCGTOZTHZDHB-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
15
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Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3