methyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H12ClN3O7S MolecularWeight: 461.83248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H12ClN3O7S/c1-30-19(25)15-12(10-5-3-2-4-6-10)9-31-18(15)21-17(24)11-7-13(22(26)27)16(20)14(8-11)23(28)29/h2-9H,1H3,(H,21,24)