methyl 2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2-nitro-benzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2-nitro-benzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H17ClN2O7S MolecularWeight: 476.88688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17ClN2O7S/c1-29-16-7-4-11(8-17(16)30-2)14-10-32-20(18(14)21(26)31-3)23-19(25)13-6-5-12(22)9-15(13)24(27)28/h4-10H,1-3H3,(H,23,25)