Sunday, November 27, 2011

http://ChemLookup.com Compounds




CAS RN: 104145-44-0
CAS Name: 1-(5,8-dioxo-2-quinolinyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
OPENEYE Name: methyl 1-(5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name: methyl 1-(5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: methyl 1-[5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C22H13N3O4
MOLECULAR WEIGHT: 383.35632
SMILES: COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=CC5=O
Structure:

CAS RN: 19993-26-1
CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxopropyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
MOLECULAR FORMULA: C8H14N2O4
MOLECULAR WEIGHT: 202.20776
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)C
Structure:

CAS RN: 97629-64-6
CAS Name: 3,5-dimethyl-2-nitrobenzene-1,4-diamine
OPENEYE Name: 3,5-dimethyl-2-nitro-benzene-1,4-diamine
IUPAC Name: 3,5-dimethyl-2-nitrobenzene-1,4-diamine
SYSTEMATIC NAME: 3,5-dimethyl-2-nitro-benzene-1,4-diamine
MOLECULAR FORMULA: C8H11N3O2
MOLECULAR WEIGHT: 181.19184
SMILES: CC1=CC(=C(C(=C1N)C)[N+](=O)[O-])N
Structure:

CAS RN: 64265-13-0
CAS Name: 6-nitro-1,2-dihydrobenzotriazol-4-one
OPENEYE Name: 6-nitro-1,2-dihydrobenzotriazol-4-one
IUPAC Name: 6-nitro-1,2-dihydrobenzotriazol-4-one
SYSTEMATIC NAME: 6-nitro-1,2-dihydrobenzotriazol-4-one
MOLECULAR FORMULA: C6H4N4O3
MOLECULAR WEIGHT: 180.12096
SMILES: C1=C(C=C2C(=NNN2)C1=O)[N+](=O)[O-]
Structure:

CAS RN: 64236-24-4
CAS Name: 4-hydroxy-6-nitro-1,3-dihydrobenzimidazol-2-one
OPENEYE Name: 4-hydroxy-6-nitro-1,3-dihydrobenzimidazol-2-one
IUPAC Name: 4-hydroxy-6-nitro-1,3-dihydrobenzimidazol-2-one
SYSTEMATIC NAME: 6-nitro-4-oxidanyl-1,3-dihydrobenzimidazol-2-one
MOLECULAR FORMULA: C7H5N3O4
MOLECULAR WEIGHT: 195.1323
SMILES: C1=C(C=C2C(=C1O)NC(=O)N2)[N+](=O)[O-]
Structure:

CAS RN: 64236-07-3
CAS Name: 2-methyl-6-nitro-1H-benzimidazol-4-ol
OPENEYE Name: 2-methyl-6-nitro-1H-benzimidazol-4-ol
IUPAC Name: 2-methyl-6-nitro-1H-benzimidazol-4-ol
SYSTEMATIC NAME: 2-methyl-6-nitro-1H-benzimidazol-4-ol
MOLECULAR FORMULA: C8H7N3O3
MOLECULAR WEIGHT: 193.15948
SMILES: CC1=NC2=C(C=C(C=C2N1)[N+](=O)[O-])O
Structure:

CAS RN: 63528-75-6
CAS Name: N'-methyl-5-nitro-4-quinolinecarbohydrazide
OPENEYE Name: N'-methyl-5-nitro-quinoline-4-carbohydrazide
IUPAC Name: N'-methyl-5-nitroquinoline-4-carbohydrazide
SYSTEMATIC NAME: N'-methyl-5-nitro-quinoline-4-carbohydrazide
MOLECULAR FORMULA: C11H10N4O3
MOLECULAR WEIGHT: 246.2221
SMILES: CNNC(=O)C1=C2C(=NC=C1)C=CC=C2[N+](=O)[O-]
Structure:

CAS RN: 96014-35-6
CAS Name: N-(2-nitro-9H-carbazol-3-yl)acetamide
OPENEYE Name: N-(2-nitro-9H-carbazol-3-yl)acetamide
IUPAC Name: N-(2-nitro-9H-carbazol-3-yl)acetamide
SYSTEMATIC NAME: N-(2-nitro-9H-carbazol-3-yl)ethanamide
MOLECULAR FORMULA: C14H11N3O3
MOLECULAR WEIGHT: 269.25544
SMILES: CC(=O)NC1=C(C=C2C(=C1)C3=CC=CC=C3N2)[N+](=O)[O-]
Structure:

CAS RN: 96014-34-5
CAS Name: N-(4-nitro-9H-carbazol-3-yl)acetamide
OPENEYE Name: N-(4-nitro-9H-carbazol-3-yl)acetamide
IUPAC Name: N-(4-nitro-9H-carbazol-3-yl)acetamide
SYSTEMATIC NAME: N-(4-nitro-9H-carbazol-3-yl)ethanamide
MOLECULAR FORMULA: C14H11N3O3
MOLECULAR WEIGHT: 269.25544
SMILES: CC(=O)NC1=C(C2=C(C=C1)NC3=CC=CC=C32)[N+](=O)[O-]
Structure:

CAS RN: 14225-98-0
CAS Name: 6-(bromomethyl)-7H-purine
OPENEYE Name: 6-(bromomethyl)-7H-purine
IUPAC Name: 6-(bromomethyl)-7H-purine
SYSTEMATIC NAME: 6-(bromomethyl)-7H-purine
MOLECULAR FORMULA: C6H5BrN4
MOLECULAR WEIGHT: 213.0347
SMILES: C1=NC2=NC=NC(=C2N1)CBr
Structure:

CAS RN: 56264-00-7
CAS Name: 3-hydroxy-4-methoxy-6-benzo[c][1]benzopyranone
OPENEYE Name: 3-hydroxy-4-methoxy-benzo[c]chromen-6-one
IUPAC Name: 3-hydroxy-4-methoxybenzo[c]chromen-6-one
SYSTEMATIC NAME: 4-methoxy-3-oxidanyl-benzo[c]chromen-6-one
MOLECULAR FORMULA: C14H10O4
MOLECULAR WEIGHT: 242.2268
SMILES: COC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O
Structure:

CAS RN: 55720-19-9
CAS Name: thiocyanic acid [4-[[(Z)-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]phenyl] ester
OPENEYE Name: [4-[[(Z)-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl] thiocyanate
IUPAC Name: [4-[[(Z)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl] thiocyanate
SYSTEMATIC NAME: [4-[[(Z)-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl] thiocyanate
MOLECULAR FORMULA: C14H9ClN2OS
MOLECULAR WEIGHT: 288.75206
SMILES: C1=CC(=CC=C1N/C=C\2/C=C(C=CC2=O)Cl)SC#N
Structure:

CAS RN: 13110-25-3
CAS Name: (2S)-2-amino-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2S)-2-amino-4-[[(1S)-1-carboxyethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (2S)-2-amino-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
MOLECULAR FORMULA: C7H12N2O5
MOLECULAR WEIGHT: 204.18058
SMILES: C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N
Structure:

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