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

Systemtic Name: ethyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3,5-dinitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H16ClN3O7S MolecularWeight: 489.88564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O7S/c1-3-32-21(27)17-14(12-6-4-11(2)5-7-12)10-33-20(17)23-19(26)13-8-15(24(28)29)18(22)16(9-13)25(30)31/h4-10H,3H2,1-2H3,(H,23,26)