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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

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
2

4-Nitrophenyl chloroformate, 97%

CAS: 7693-46-1 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007321 InChI Key: NXLNNXIXOYSCMB-UHFFFAOYSA-N Synonym: 4-nitrophenyl chloroformate,carbonochloridic acid, 4-nitrophenyl ester,chloroformic acid 4-nitrophenyl ester,p-nitrophenyl chloroformate,chloroformic acid p-nitrophenyl ester,4-nitrophenyl carbonochloridate,formic acid, chloro-, p-nitrophenyl ester,4-nitrophenylchlorocarbonat,4-nitrophenyl choroformate PubChem CID: 82129 IUPAC Name: (4-nitrophenyl) carbonochloridate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl

PubChem CID 82129
CAS 7693-46-1
Molecular Weight (g/mol) 201.57
MDL Number MFCD00007321
SMILES C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl
Synonym 4-nitrophenyl chloroformate,carbonochloridic acid, 4-nitrophenyl ester,chloroformic acid 4-nitrophenyl ester,p-nitrophenyl chloroformate,chloroformic acid p-nitrophenyl ester,4-nitrophenyl carbonochloridate,formic acid, chloro-, p-nitrophenyl ester,4-nitrophenylchlorocarbonat,4-nitrophenyl choroformate
IUPAC Name (4-nitrophenyl) carbonochloridate
InChI Key NXLNNXIXOYSCMB-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
3

3,4-Difluoronitrobenzene, 99%

CAS: 369-34-6 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.09 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) 159.09
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
4

4-Nitrophenyl formate, 98%

CAS: 1865-01-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00014713 InChI Key: IEXRKQFZXJSHOB-UHFFFAOYSA-N PubChem CID: 74628 IUPAC Name: (4-nitrophenyl) formate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC=O

PubChem CID 74628
CAS 1865-01-6
Molecular Weight (g/mol) 167.12
MDL Number MFCD00014713
SMILES C1=CC(=CC=C1[N+](=O)[O-])OC=O
IUPAC Name (4-nitrophenyl) formate
InChI Key IEXRKQFZXJSHOB-UHFFFAOYSA-N
Molecular Formula C7H5NO4
5

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
6

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
7

2-Nitrophenylacetic acid, 99%

CAS: 3740-52-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007190 InChI Key: WMUZDBZPDLHUMW-UHFFFAOYSA-N Synonym: 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38 PubChem CID: 77337 IUPAC Name: 2-(2-nitrophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC=C1[N+]([O-])=O

PubChem CID 77337
CAS 3740-52-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007190
SMILES OC(=O)CC1=CC=CC=C1[N+]([O-])=O
Synonym 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38
IUPAC Name 2-(2-nitrophenyl)acetic acid
InChI Key WMUZDBZPDLHUMW-UHFFFAOYSA-N
Molecular Formula C8H7NO4
8

Nitrobenzene, 99+%, ACS reagent

CAS: 98-95-3 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 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) 123.11
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
9

Nitromethane, 96%, for HPLC

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
10

Nitromethane, 99+%, for analysis

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
11

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
12

3-Nitropyridine, 98%

CAS: 2530-26-9 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00234974 InChI Key: QLILRKBRWXALIE-UHFFFAOYSA-N Synonym: 5-nitropyridine,pyridine, 3-nitro,3-nitro-pyridine,pyridine,3-nitro,pubchem6646,acmc-1cb5f PubChem CID: 137630 IUPAC Name: 3-nitropyridine SMILES: [O-][N+](=O)C1=CC=CN=C1

PubChem CID 137630
CAS 2530-26-9
Molecular Weight (g/mol) 124.10
MDL Number MFCD00234974
SMILES [O-][N+](=O)C1=CC=CN=C1
Synonym 5-nitropyridine,pyridine, 3-nitro,3-nitro-pyridine,pyridine,3-nitro,pubchem6646,acmc-1cb5f
IUPAC Name 3-nitropyridine
InChI Key QLILRKBRWXALIE-UHFFFAOYSA-N
Molecular Formula C5H4N2O2
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

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
15

6-Cyano-7-nitro-1,4-dihydroquinoxaline-2,3-dione, 98%

CAS: 115066-14-3 Molecular Formula: C9H4N4O4 Molecular Weight (g/mol): 232.155 MDL Number: MFCD00069232 InChI Key: RPXVIAFEQBNEAX-UHFFFAOYSA-N Synonym: cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile PubChem CID: 3721046 ChEBI: CHEBI:34468 IUPAC Name: 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile SMILES: C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N

PubChem CID 3721046
CAS 115066-14-3
Molecular Weight (g/mol) 232.155
ChEBI CHEBI:34468
MDL Number MFCD00069232
SMILES C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
Synonym cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile
IUPAC Name 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
InChI Key RPXVIAFEQBNEAX-UHFFFAOYSA-N
Molecular Formula C9H4N4O4