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

Systemtic Name: ethyl (5E)-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5E)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-(4-nitroanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-4-keto-2-(4-nitroanilino)thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)C(=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)O

InChI

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