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

Systemtic Name: ethyl 5-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18N4O9S MolecularWeight: 514.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O9S/c1-4-35-22(28)19-18(13-5-7-15(8-6-13)24(29)30)12(3)36-21(19)23-20(27)14-9-16(25(31)32)11(2)17(10-14)26(33)34/h5-10H,4H2,1-3H3,(H,23,27)