ethyl (5E)-2-[(4-nitrophenyl)amino]-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5E)-2-[(4-nitrophenyl)amino]-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5E)-2-(4-nitroanilino)-5-[(3-nitrophenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: (5E)-2-(4-nitroanilino)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-(4-nitroanilino)-5-[(3-nitrophenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: (5E)-4-keto-2-(4-nitroanilino)-5-(3-nitrobenzylidene)thiophene-3-carboxylic acid ethyl ester Formula: C20H15N3O7S MolecularWeight: 441.414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)[N+](=O)[O-])C1=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C1=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O7S/c1-2-30-20(25)17-18(24)16(11-12-4-3-5-15(10-12)23(28)29)31-19(17)21-13-6-8-14(9-7-13)22(26)27/h3-11,21H,2H2,1H3/b16-11+