ethyl 4-(4-chlorophenyl)-2-[(2,4-dinitrophenyl)carbonylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[(2,4-dinitrophenyl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[(2,4-dinitrobenzoyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[(2,4-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(2,4-dinitrobenzoyl)amino]-5-methyl-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)Cl)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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