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Organic oxoazanium compounds

Organic compounds that contain or are associated with an oxoazanium ion; oxoazanium ions have an oxygen atom bonded to a nitrogen atom via a double bond, and the nitrogen atom is bonded to two hydrogen atoms.
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1 – 15 of 224 results
1

3-Nitroaniline, 98%

CAS: 99-09-2 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007782 InChI Key: XJCVRTZCHMZPBD-UHFFFAOYSA-N Synonym: m-nitroaniline,benzenamine, 3-nitro,3-nitrophenylamine,nitranilin,3-aminonitrobenzene,fast orange base r,azobase mna,devol orange r,m-nitrophenylamine,3-nitrobenzenamine PubChem CID: 7423 IUPAC Name: 3-nitroaniline SMILES: NC1=CC=CC(=C1)[N+]([O-])=O

PubChem CID 7423
CAS 99-09-2
Molecular Weight (g/mol) 138.13
MDL Number MFCD00007782
SMILES NC1=CC=CC(=C1)[N+]([O-])=O
Synonym m-nitroaniline,benzenamine, 3-nitro,3-nitrophenylamine,nitranilin,3-aminonitrobenzene,fast orange base r,azobase mna,devol orange r,m-nitrophenylamine,3-nitrobenzenamine
IUPAC Name 3-nitroaniline
InChI Key XJCVRTZCHMZPBD-UHFFFAOYSA-N
Molecular Formula C6H6N2O2
2

1-Nitropropane, 98%

CAS: 108-03-2 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00007407 InChI Key: JSZOAYXJRCEYSX-UHFFFAOYSA-N Synonym: propane, 1-nitro,nitropropane,propane, nitro,ccris 1329,dsstox_cid_980,dsstox_rid_75902,dsstox_gsid_20980,nitro-propane,n-nitropropane,3-nitropropane PubChem CID: 7903 ChEBI: CHEBI:76261 IUPAC Name: 1-nitropropane SMILES: CCC[N+](=O)[O-]

PubChem CID 7903
CAS 108-03-2
Molecular Weight (g/mol) 89.094
ChEBI CHEBI:76261
MDL Number MFCD00007407
SMILES CCC[N+](=O)[O-]
Synonym propane, 1-nitro,nitropropane,propane, nitro,ccris 1329,dsstox_cid_980,dsstox_rid_75902,dsstox_gsid_20980,nitro-propane,n-nitropropane,3-nitropropane
IUPAC Name 1-nitropropane
InChI Key JSZOAYXJRCEYSX-UHFFFAOYSA-N
Molecular Formula C3H7NO2
3

1,3,5-Trichloro-2-nitrobenzene, 98+%

CAS: 18708-70-8 Molecular Formula: C6H2Cl3NO2 Molecular Weight (g/mol): 226.437 MDL Number: MFCD00014690 InChI Key: AEBJDOTVYMITIA-UHFFFAOYSA-N PubChem CID: 29228 IUPAC Name: 1,3,5-trichloro-2-nitrobenzene SMILES: C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl

PubChem CID 29228
CAS 18708-70-8
Molecular Weight (g/mol) 226.437
MDL Number MFCD00014690
SMILES C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl
IUPAC Name 1,3,5-trichloro-2-nitrobenzene
InChI Key AEBJDOTVYMITIA-UHFFFAOYSA-N
Molecular Formula C6H2Cl3NO2
4

7-Nitroindole-2-carboxylic acid, 96%

CAS: 6960-45-8 Molecular Formula: C9H6N2O4 Molecular Weight (g/mol): 206.157 MDL Number: MFCD00044720 InChI Key: BIUCOFQROHIAEO-UHFFFAOYSA-N Synonym: 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro PubChem CID: 81409 SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O

PubChem CID 81409
CAS 6960-45-8
Molecular Weight (g/mol) 206.157
MDL Number MFCD00044720
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
Synonym 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro
InChI Key BIUCOFQROHIAEO-UHFFFAOYSA-N
Molecular Formula C9H6N2O4
5

3-Nitrophenylacetic acid, 99%

CAS: 1877-73-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007278 InChI Key: WUKHOVCMWXMOOA-UHFFFAOYSA-N Synonym: 3-nitrophenylacetic acid,2-3-nitrophenyl acetic acid,3-nitrophenyl acetic acid,benzeneacetic acid, 3-nitro,m-nitrophenyl acetic acid,m-nitrophenylacetic acid,3-nitrobenzeneacetic acid,acetic acid, m-nitrophenyl,ccris 2337 PubChem CID: 15876 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O

PubChem CID 15876
CAS 1877-73-2
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007278
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O
Synonym 3-nitrophenylacetic acid,2-3-nitrophenyl acetic acid,3-nitrophenyl acetic acid,benzeneacetic acid, 3-nitro,m-nitrophenyl acetic acid,m-nitrophenylacetic acid,3-nitrobenzeneacetic acid,acetic acid, m-nitrophenyl,ccris 2337
InChI Key WUKHOVCMWXMOOA-UHFFFAOYSA-N
Molecular Formula C8H7NO4
6

2-Chloro-5-nitrobenzonitrile, 99%

CAS: 16588-02-6 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00007292 InChI Key: ZGILLTVEEBNDOB-UHFFFAOYSA-N Synonym: benzonitrile, 2-chloro-5-nitro,2-chlor-5-nitrobenzonitril german,5-nitro-2-chlorobenzonitrile,chembl52706,2-chloro-5-nitro-benzonitrile,2-chloro-5-nitrobenzenecarbonitrile,4-chloro-3-cyano-1-nitrobenzene,2-chlor-5-nitrobenzonitril,pubchem4740,2-chloro-5-nitrobenzonitril PubChem CID: 85504 IUPAC Name: 2-chloro-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl

PubChem CID 85504
CAS 16588-02-6
Molecular Weight (g/mol) 182.563
MDL Number MFCD00007292
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl
Synonym benzonitrile, 2-chloro-5-nitro,2-chlor-5-nitrobenzonitril german,5-nitro-2-chlorobenzonitrile,chembl52706,2-chloro-5-nitro-benzonitrile,2-chloro-5-nitrobenzenecarbonitrile,4-chloro-3-cyano-1-nitrobenzene,2-chlor-5-nitrobenzonitril,pubchem4740,2-chloro-5-nitrobenzonitril
IUPAC Name 2-chloro-5-nitrobenzonitrile
InChI Key ZGILLTVEEBNDOB-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
7

4-Fluoro-2-nitrobenzonitrile, 97%

CAS: 80517-21-1 Molecular Formula: C7H3FN2O2 Molecular Weight (g/mol): 166.111 MDL Number: MFCD00277447 InChI Key: MNEAKKQYFSYZEU-UHFFFAOYSA-N Synonym: 2-cyano-5-fluoronitrobenzene,benzonitrile, 4-fluoro-2-nitro,buttpark 100\07-73,pubchem4795,acmc-209pjl,4-fluoro-2-nitrobenzonitrle,ksc497q7l,4-fluoro-2-nitro-benzonitrile,benzonitrile,4-fluoro-2-nitro,4-fluoro-2-nitrobenzenecarbonitrile PubChem CID: 2774652 IUPAC Name: 4-fluoro-2-nitrobenzonitrile SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C#N

PubChem CID 2774652
CAS 80517-21-1
Molecular Weight (g/mol) 166.111
MDL Number MFCD00277447
SMILES C1=CC(=C(C=C1F)[N+](=O)[O-])C#N
Synonym 2-cyano-5-fluoronitrobenzene,benzonitrile, 4-fluoro-2-nitro,buttpark 100\07-73,pubchem4795,acmc-209pjl,4-fluoro-2-nitrobenzonitrle,ksc497q7l,4-fluoro-2-nitro-benzonitrile,benzonitrile,4-fluoro-2-nitro,4-fluoro-2-nitrobenzenecarbonitrile
IUPAC Name 4-fluoro-2-nitrobenzonitrile
InChI Key MNEAKKQYFSYZEU-UHFFFAOYSA-N
Molecular Formula C7H3FN2O2
8

4-Nitrophthalonitrile, 97%

CAS: 31643-49-9 Molecular Formula: C8H3N3O2 Molecular Weight (g/mol): 173.13 MDL Number: MFCD00040301 InChI Key: NTZMSBAAHBICLE-UHFFFAOYSA-N Synonym: 4-nitrophthalonitrile,5-nitrobenzene-1,2-dicarbonitrile,4-nitro-1,2-benzenedicarbonitrile,1,2-dicyano-4-nitrobenzene,3,4-dicyanonitrobenzene,phthalonitrile, 4-nitro,4-nitro-phthalonitrile,1,2-benzenedicarbonitrile, 4-nitro,5-nitro-1,2-benzenedicarbonitrile,4-nitro-o-benzenedinitrile PubChem CID: 97443 IUPAC Name: 4-nitrobenzene-1,2-dicarbonitrile SMILES: [O-][N+](=O)C1=CC=C(C#N)C(=C1)C#N

PubChem CID 97443
CAS 31643-49-9
Molecular Weight (g/mol) 173.13
MDL Number MFCD00040301
SMILES [O-][N+](=O)C1=CC=C(C#N)C(=C1)C#N
Synonym 4-nitrophthalonitrile,5-nitrobenzene-1,2-dicarbonitrile,4-nitro-1,2-benzenedicarbonitrile,1,2-dicyano-4-nitrobenzene,3,4-dicyanonitrobenzene,phthalonitrile, 4-nitro,4-nitro-phthalonitrile,1,2-benzenedicarbonitrile, 4-nitro,5-nitro-1,2-benzenedicarbonitrile,4-nitro-o-benzenedinitrile
IUPAC Name 4-nitrobenzene-1,2-dicarbonitrile
InChI Key NTZMSBAAHBICLE-UHFFFAOYSA-N
Molecular Formula C8H3N3O2
9

2-Chloro-6-nitrobenzonitrile, 98%

CAS: 6575-07-1 MDL Number: MFCD00007203

CAS 6575-07-1
MDL Number MFCD00007203
10

1,2,3-Trifluoro-5-nitrobenzene, 99%

CAS: 66684-58-0 Molecular Formula: C6H2F3NO2 Molecular Weight (g/mol): 177.08 MDL Number: MFCD00456803 InChI Key: PTTUMBGORBMNBN-UHFFFAOYSA-N Synonym: 3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene PubChem CID: 2782793 IUPAC Name: 1,2,3-trifluoro-5-nitrobenzene SMILES: [O-][N+](=O)C1=CC(F)=C(F)C(F)=C1

PubChem CID 2782793
CAS 66684-58-0
Molecular Weight (g/mol) 177.08
MDL Number MFCD00456803
SMILES [O-][N+](=O)C1=CC(F)=C(F)C(F)=C1
Synonym 3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene
IUPAC Name 1,2,3-trifluoro-5-nitrobenzene
InChI Key PTTUMBGORBMNBN-UHFFFAOYSA-N
Molecular Formula C6H2F3NO2
11

Nitrobenzene, 99%

CAS: 98-95-3 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.111 MDL Number: MFCD00007043 InChI Key: LQNUZADURLCDLV-UHFFFAOYSA-N Synonym: nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene PubChem CID: 7416 ChEBI: CHEBI:27798 IUPAC Name: nitrobenzene SMILES: C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 7416
CAS 98-95-3
Molecular Weight (g/mol) 123.111
ChEBI CHEBI:27798
MDL Number MFCD00007043
SMILES C1=CC=C(C=C1)[N+](=O)[O-]
Synonym nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene
IUPAC Name nitrobenzene
InChI Key LQNUZADURLCDLV-UHFFFAOYSA-N
Molecular Formula C6H5NO2
12

1,2-Difluoro-4-nitrobenzene, 98+%

CAS: 369-34-6 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.092 MDL Number: MFCD00007198 InChI Key: RUBQQRMAWLSCCJ-UHFFFAOYSA-N Synonym: 3,4-difluoronitrobenzene,benzene, 1,2-difluoro-4-nitro,1-nitro-3,4-difluorobenzene,1,2-difluoro-4-nitro-benzene,3,4-difluoro nitrobenzene,pubchem2290,3,4-difluornitrobenzene,3.4-difluoronitrobenzene,3, 4-difluoronitrobenzene,3,4-difluoro-nitrobenzene PubChem CID: 123053 IUPAC Name: 1,2-difluoro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)F

PubChem CID 123053
CAS 369-34-6
Molecular Weight (g/mol) 159.092
MDL Number MFCD00007198
SMILES C1=CC(=C(C=C1[N+](=O)[O-])F)F
Synonym 3,4-difluoronitrobenzene,benzene, 1,2-difluoro-4-nitro,1-nitro-3,4-difluorobenzene,1,2-difluoro-4-nitro-benzene,3,4-difluoro nitrobenzene,pubchem2290,3,4-difluornitrobenzene,3.4-difluoronitrobenzene,3, 4-difluoronitrobenzene,3,4-difluoro-nitrobenzene
IUPAC Name 1,2-difluoro-4-nitrobenzene
InChI Key RUBQQRMAWLSCCJ-UHFFFAOYSA-N
Molecular Formula C6H3F2NO2
13

4-(4-Nitrobenzyl)pyridine, 98+%

CAS: 1083-48-3 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00006445 InChI Key: MNHKUCBXXMFQDM-UHFFFAOYSA-N Synonym: 4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine PubChem CID: 14129 IUPAC Name: 4-[(4-nitrophenyl)methyl]pyridine SMILES: [O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1

PubChem CID 14129
CAS 1083-48-3
Molecular Weight (g/mol) 214.22
MDL Number MFCD00006445
SMILES [O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1
Synonym 4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine
IUPAC Name 4-[(4-nitrophenyl)methyl]pyridine
InChI Key MNHKUCBXXMFQDM-UHFFFAOYSA-N
Molecular Formula C12H10N2O2
14

2-Nitrobenzonitrile, 98+%

CAS: 612-24-8 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00007044 InChI Key: SWBDKCMOLSUXRH-UHFFFAOYSA-N Synonym: o-nitrobenzonitrile,o-cyanonitrobenzene,benzonitrile, o-nitro,benzonitrile, 2-nitro,2-cyanonitrobenzene,nitrobenzonitrile,unii-drc6u29fci,ccris 2326,1-nitro-2-cyanobenzene,2-nitrobenzenecarbonitrile PubChem CID: 11922 IUPAC Name: 2-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=CC=C1C#N

PubChem CID 11922
CAS 612-24-8
Molecular Weight (g/mol) 148.12
MDL Number MFCD00007044
SMILES [O-][N+](=O)C1=CC=CC=C1C#N
Synonym o-nitrobenzonitrile,o-cyanonitrobenzene,benzonitrile, o-nitro,benzonitrile, 2-nitro,2-cyanonitrobenzene,nitrobenzonitrile,unii-drc6u29fci,ccris 2326,1-nitro-2-cyanobenzene,2-nitrobenzenecarbonitrile
IUPAC Name 2-nitrobenzonitrile
InChI Key SWBDKCMOLSUXRH-UHFFFAOYSA-N
Molecular Formula C7H4N2O2
15

6-Nitroindole, 97%

CAS: 4769-96-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00051497 InChI Key: PSWCIARYGITEOY-UHFFFAOYSA-N Synonym: 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p PubChem CID: 78502 IUPAC Name: 6-nitro-1H-indole SMILES: [O-][N+](=O)C1=CC=C2C=CNC2=C1

PubChem CID 78502
CAS 4769-96-4
Molecular Weight (g/mol) 162.15
MDL Number MFCD00051497
SMILES [O-][N+](=O)C1=CC=C2C=CNC2=C1
Synonym 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p
IUPAC Name 6-nitro-1H-indole
InChI Key PSWCIARYGITEOY-UHFFFAOYSA-N
Molecular Formula C8H6N2O2