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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-Nitrophthalonitrile, 99%

CAS: 51762-67-5 Molecular Formula: C8H3N3O2 Molecular Weight (g/mol): 173.13 MDL Number: MFCD00191558 InChI Key: UZJZIZFCQFZDHP-UHFFFAOYSA-N Synonym: 3-nitrophthalonitrile,2,3-dicyanonitrobenzene,1,2-benzenedicarbonitrile, 3-nitro,3-nitrophthalodinitrile,1,2-dicyano-3-nitrobenzene,3-nitro-1,2-benzenedicarbonitrile,nitrophthalonitrile,3-nitro-phthalonitrile,3-nitrophthalonitrile?,acmc-209kvo PubChem CID: 162652 IUPAC Name: 3-nitrobenzene-1,2-dicarbonitrile SMILES: [O-][N+](=O)C1=CC=CC(C#N)=C1C#N

PubChem CID 162652
CAS 51762-67-5
Molecular Weight (g/mol) 173.13
MDL Number MFCD00191558
SMILES [O-][N+](=O)C1=CC=CC(C#N)=C1C#N
Synonym 3-nitrophthalonitrile,2,3-dicyanonitrobenzene,1,2-benzenedicarbonitrile, 3-nitro,3-nitrophthalodinitrile,1,2-dicyano-3-nitrobenzene,3-nitro-1,2-benzenedicarbonitrile,nitrophthalonitrile,3-nitro-phthalonitrile,3-nitrophthalonitrile?,acmc-209kvo
IUPAC Name 3-nitrobenzene-1,2-dicarbonitrile
InChI Key UZJZIZFCQFZDHP-UHFFFAOYSA-N
Molecular Formula C8H3N3O2
2

Ethyl 5-nitroindole-2-carboxylate, 95%

CAS: 16732-57-3 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00216477 InChI Key: DVFJMQCNICEPAI-UHFFFAOYSA-N Synonym: ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7 PubChem CID: 280312 IUPAC Name: ethyl 5-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O

PubChem CID 280312
CAS 16732-57-3
Molecular Weight (g/mol) 234.21
MDL Number MFCD00216477
SMILES CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O
Synonym ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7
IUPAC Name ethyl 5-nitro-1H-indole-2-carboxylate
InChI Key DVFJMQCNICEPAI-UHFFFAOYSA-N
Molecular Formula C11H10N2O4
3

4-Chloro-3-nitrobenzonitrile, 98%

CAS: 939-80-0 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00016987 InChI Key: XBLPHYSLHRGMNW-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile PubChem CID: 13655 IUPAC Name: 4-chloro-3-nitrobenzonitrile SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

PubChem CID 13655
CAS 939-80-0
Molecular Weight (g/mol) 182.563
MDL Number MFCD00016987
SMILES C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
Synonym 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile
IUPAC Name 4-chloro-3-nitrobenzonitrile
InChI Key XBLPHYSLHRGMNW-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
4

Nitromethane, 96%, for spectroscopy

CAS: 75-52-5 Molecular Formula: CH3NO2 Molecular Weight (g/mol): 61.04 MDL Number: MFCD00007400 InChI Key: LYGJENNIWJXYER-UHFFFAOYSA-N Synonym: methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4 PubChem CID: 6375 ChEBI: CHEBI:77701 IUPAC Name: nitromethane SMILES: C[N+]([O-])=O

PubChem CID 6375
CAS 75-52-5
Molecular Weight (g/mol) 61.04
ChEBI CHEBI:77701
MDL Number MFCD00007400
SMILES C[N+]([O-])=O
Synonym methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4
IUPAC Name nitromethane
InChI Key LYGJENNIWJXYER-UHFFFAOYSA-N
Molecular Formula CH3NO2
5

4-Fluoro-3-nitroaniline, 99%

CAS: 364-76-1 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007833 InChI Key: LLIOADBCFIXIEU-UHFFFAOYSA-N Synonym: 3-nitro-4-fluoroaniline,4-fluoro-3-nitrobenzenamine,benzenamine, 4-fluoro-3-nitro,aniline, 4-fluoro-3-nitro,4-fluoro-3-nitro-aniline,5-amino-2-fluoronitrobenzene,4-fluoro-3-nitro-phenylamine,3-nitro-4-fluoroanailine,3-nitro-4-fluoro aniline,4-fluoro-3-nitro aniline PubChem CID: 67768 ChEBI: CHEBI:48642 IUPAC Name: 4-fluoro-3-nitroaniline SMILES: NC1=CC=C(F)C(=C1)[N+]([O-])=O

PubChem CID 67768
CAS 364-76-1
Molecular Weight (g/mol) 156.12
ChEBI CHEBI:48642
MDL Number MFCD00007833
SMILES NC1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym 3-nitro-4-fluoroaniline,4-fluoro-3-nitrobenzenamine,benzenamine, 4-fluoro-3-nitro,aniline, 4-fluoro-3-nitro,4-fluoro-3-nitro-aniline,5-amino-2-fluoronitrobenzene,4-fluoro-3-nitro-phenylamine,3-nitro-4-fluoroanailine,3-nitro-4-fluoro aniline,4-fluoro-3-nitro aniline
IUPAC Name 4-fluoro-3-nitroaniline
InChI Key LLIOADBCFIXIEU-UHFFFAOYSA-N
Molecular Formula C6H5FN2O2
6

3-Nitrophthalic anhydride, 97%

CAS: 641-70-3 Molecular Formula: C8H3NO5 Molecular Weight (g/mol): 193.11 MDL Number: MFCD00005921 InChI Key: ROFZMKDROVBLNY-UHFFFAOYSA-N Synonym: 3-nitrophthalic anhydride,4-nitroisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-nitro,phthalic anhydride, 3-nitro,3-nitro phthalic anhydride,3-nitrophthalic acid anhydride,1,3-isobenzofurandione, nitro,4-nitro-isobenzofuran-1,3-dione,3-nitrophthalicanhydride,nitrophthalic anhydride PubChem CID: 21631 IUPAC Name: 4-nitro-2-benzofuran-1,3-dione SMILES: [O-][N+](=O)C1=CC=CC2=C1C(=O)OC2=O

PubChem CID 21631
CAS 641-70-3
Molecular Weight (g/mol) 193.11
MDL Number MFCD00005921
SMILES [O-][N+](=O)C1=CC=CC2=C1C(=O)OC2=O
Synonym 3-nitrophthalic anhydride,4-nitroisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-nitro,phthalic anhydride, 3-nitro,3-nitro phthalic anhydride,3-nitrophthalic acid anhydride,1,3-isobenzofurandione, nitro,4-nitro-isobenzofuran-1,3-dione,3-nitrophthalicanhydride,nitrophthalic anhydride
IUPAC Name 4-nitro-2-benzofuran-1,3-dione
InChI Key ROFZMKDROVBLNY-UHFFFAOYSA-N
Molecular Formula C8H3NO5
7

4-Nitrobenzyl chloroformate, 95%

CAS: 4457-32-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00007375 InChI Key: MHSGOABISYIYKP-UHFFFAOYSA-N Synonym: 4-nitrobenzyl chloroformate,4-nitrobenzyl carbonochloridate,carbonochloridic acid, 4-nitrophenyl methyl ester,4-nitrobenzyl chlorocarbonate,p-nitrobenzyl chloroformate,4-nitrocarbobenzoxychloride,4-nitrophenyl methyl chloroformate,p-nitrobenzyloxycarbonyl chloride,4-nitrobenzyloxycarbonyl chloride,chloroformic acid p-nitrobenzyl ester PubChem CID: 78205 IUPAC Name: (4-nitrophenyl)methyl carbonochloridate SMILES: C1=CC(=CC=C1COC(=O)Cl)[N+](=O)[O-]

PubChem CID 78205
CAS 4457-32-3
Molecular Weight (g/mol) 215.59
MDL Number MFCD00007375
SMILES C1=CC(=CC=C1COC(=O)Cl)[N+](=O)[O-]
Synonym 4-nitrobenzyl chloroformate,4-nitrobenzyl carbonochloridate,carbonochloridic acid, 4-nitrophenyl methyl ester,4-nitrobenzyl chlorocarbonate,p-nitrobenzyl chloroformate,4-nitrocarbobenzoxychloride,4-nitrophenyl methyl chloroformate,p-nitrobenzyloxycarbonyl chloride,4-nitrobenzyloxycarbonyl chloride,chloroformic acid p-nitrobenzyl ester
IUPAC Name (4-nitrophenyl)methyl carbonochloridate
InChI Key MHSGOABISYIYKP-UHFFFAOYSA-N
Molecular Formula C8H6ClNO4
8

2-Nitrobenzenesulfenyl chloride, 98%

CAS: 7669-54-7 Molecular Formula: C6H4ClNO2S Molecular Weight (g/mol): 189.62 MDL Number: MFCD00007128 InChI Key: NTNKNFHIAFDCSJ-UHFFFAOYSA-N Synonym: 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane PubChem CID: 24319 IUPAC Name: (2-nitrophenyl) thiohypochlorite SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCl

PubChem CID 24319
CAS 7669-54-7
Molecular Weight (g/mol) 189.62
MDL Number MFCD00007128
SMILES C1=CC=C(C(=C1)[N+](=O)[O-])SCl
Synonym 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane
IUPAC Name (2-nitrophenyl) thiohypochlorite
InChI Key NTNKNFHIAFDCSJ-UHFFFAOYSA-N
Molecular Formula C6H4ClNO2S
9

1-Chloro-2,4-dinitrobenzene, 99%

CAS: 97-00-7 Molecular Formula: C6H3ClN2O4 Molecular Weight (g/mol): 202.55 MDL Number: MFCD00007075 InChI Key: VYZAHLCBVHPDDF-UHFFFAOYSA-N Synonym: 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene PubChem CID: 6 ChEBI: CHEBI:34718 IUPAC Name: 1-chloro-2,4-dinitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

PubChem CID 6
CAS 97-00-7
Molecular Weight (g/mol) 202.55
ChEBI CHEBI:34718
MDL Number MFCD00007075
SMILES [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Synonym 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene
IUPAC Name 1-chloro-2,4-dinitrobenzene
InChI Key VYZAHLCBVHPDDF-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O4
10

1-Chloro-2,4-dinitrobenzene, 98%

CAS: 97-00-7 Molecular Formula: C6H3ClN2O4 Molecular Weight (g/mol): 202.55 MDL Number: MFCD00007075 InChI Key: VYZAHLCBVHPDDF-UHFFFAOYSA-N Synonym: 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene PubChem CID: 6 ChEBI: CHEBI:34718 IUPAC Name: 1-chloro-2,4-dinitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

PubChem CID 6
CAS 97-00-7
Molecular Weight (g/mol) 202.55
ChEBI CHEBI:34718
MDL Number MFCD00007075
SMILES [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Synonym 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene
IUPAC Name 1-chloro-2,4-dinitrobenzene
InChI Key VYZAHLCBVHPDDF-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O4
11

1-Chloro-2-nitrobenzene, 99%

CAS: 88-73-3 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.55 MDL Number: MFCD00007061 InChI Key: BFCFYVKQTRLZHA-UHFFFAOYSA-N Synonym: 2-chloronitrobenzene,o-chloronitrobenzene,2-nitrochlorobenzene,chloronitrobenzene,o-nitrochlorobenzene,benzene, 1-chloro-2-nitro,2-chloro-1-nitrobenzene,oncb,benzene, chloronitro,nitrochlorobenzene PubChem CID: 6945 ChEBI: CHEBI:34270 IUPAC Name: 1-chloro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC=C1Cl

PubChem CID 6945
CAS 88-73-3
Molecular Weight (g/mol) 157.55
ChEBI CHEBI:34270
MDL Number MFCD00007061
SMILES [O-][N+](=O)C1=CC=CC=C1Cl
Synonym 2-chloronitrobenzene,o-chloronitrobenzene,2-nitrochlorobenzene,chloronitrobenzene,o-nitrochlorobenzene,benzene, 1-chloro-2-nitro,2-chloro-1-nitrobenzene,oncb,benzene, chloronitro,nitrochlorobenzene
IUPAC Name 1-chloro-2-nitrobenzene
InChI Key BFCFYVKQTRLZHA-UHFFFAOYSA-N
Molecular Formula C6H4ClNO2
12

1-Chloro-4-nitrobenzene, 98+%

CAS: 100-00-5 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00007285 InChI Key: CZGCEKJOLUNIFY-UHFFFAOYSA-N Synonym: 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene PubChem CID: 7474 ChEBI: CHEBI:34399 IUPAC Name: 1-chloro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])Cl

PubChem CID 7474
CAS 100-00-5
Molecular Weight (g/mol) 157.553
ChEBI CHEBI:34399
MDL Number MFCD00007285
SMILES C1=CC(=CC=C1[N+](=O)[O-])Cl
Synonym 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene
IUPAC Name 1-chloro-4-nitrobenzene
InChI Key CZGCEKJOLUNIFY-UHFFFAOYSA-N
Molecular Formula C6H4ClNO2
13

6-Nitrochromone, 97%

CAS: 51484-05-0 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD02954226 InChI Key: ORWADBVBOPTYQT-UHFFFAOYSA-N Synonym: 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro PubChem CID: 847716 IUPAC Name: 6-nitrochromen-4-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2

PubChem CID 847716
CAS 51484-05-0
Molecular Weight (g/mol) 191.142
MDL Number MFCD02954226
SMILES C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2
Synonym 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro
IUPAC Name 6-nitrochromen-4-one
InChI Key ORWADBVBOPTYQT-UHFFFAOYSA-N
Molecular Formula C9H5NO4
14

8-Nitroquinoline, 98%

CAS: 607-35-2 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00006806 InChI Key: OQHHSGRZCKGLCY-UHFFFAOYSA-N Synonym: quinoline, 8-nitro,unii-ywo6s88v4v,ccris 457,ywo6s88v4v,8-nitroqunioline,4msn,8-nitro-quinoline,gilstone-yellow,zlchem 249,pubchem5825 PubChem CID: 11830 IUPAC Name: 8-nitroquinoline SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2

PubChem CID 11830
CAS 607-35-2
Molecular Weight (g/mol) 174.159
MDL Number MFCD00006806
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2
Synonym quinoline, 8-nitro,unii-ywo6s88v4v,ccris 457,ywo6s88v4v,8-nitroqunioline,4msn,8-nitro-quinoline,gilstone-yellow,zlchem 249,pubchem5825
IUPAC Name 8-nitroquinoline
InChI Key OQHHSGRZCKGLCY-UHFFFAOYSA-N
Molecular Formula C9H6N2O2
15

3-Nitrobenzonitrile, 98%

CAS: 619-24-9 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.121 MDL Number: MFCD00007194 InChI Key: RUSAWEHOGCWOPG-UHFFFAOYSA-N Synonym: benzonitrile, 3-nitro,m-nitrobenzonitrile,3-cyanonitrobenzene,m-cyanonitrobenzene,benzonitrile, m-nitro,3-cyano-1-nitrobenzene,3-nitro-benzonitrile,ccris 2327,3-nitrobenzenecarbonitrile,3-nitrobenzonitril PubChem CID: 12079 IUPAC Name: 3-nitrobenzonitrile SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C#N

PubChem CID 12079
CAS 619-24-9
Molecular Weight (g/mol) 148.121
MDL Number MFCD00007194
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C#N
Synonym benzonitrile, 3-nitro,m-nitrobenzonitrile,3-cyanonitrobenzene,m-cyanonitrobenzene,benzonitrile, m-nitro,3-cyano-1-nitrobenzene,3-nitro-benzonitrile,ccris 2327,3-nitrobenzenecarbonitrile,3-nitrobenzonitril
IUPAC Name 3-nitrobenzonitrile
InChI Key RUSAWEHOGCWOPG-UHFFFAOYSA-N
Molecular Formula C7H4N2O2