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

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(3-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(m-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(3-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(3-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(m-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O5S/c1-11-4-3-5-12(8-11)14-10-29-19(17(14)20(25)28-2)22-18(24)13-6-7-15(21)16(9-13)23(26)27/h3-10H,1-2H3,(H,22,24)