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

Systemtic Name: ethyl (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-[(3,4-dimethoxyphenyl)methylene]-2-(4-nitroanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-4-keto-2-(4-nitroanilino)-5-veratrylidene-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-4-31-22(26)19-20(25)18(12-13-5-10-16(29-2)17(11-13)30-3)32-21(19)23-14-6-8-15(9-7-14)24(27)28/h5-12,23H,4H2,1-3H3/b18-12-