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

Systemtic Name: ethyl 2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-3,5-dinitrobenzoyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H16N4O9S MolecularWeight: 500.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O9S/c1-3-34-21(27)18-15(12-5-4-6-14(7-12)23(28)29)10-35-20(18)22-19(26)13-8-16(24(30)31)11(2)17(9-13)25(32)33/h4-10H,3H2,1-2H3,(H,22,26)