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

Systemtic Name: ethyl (5E)-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5E)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-(4-nitroanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5E)-5-(3-hydroxy-4-methoxy-benzylidene)-4-keto-2-(4-nitroanilino)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O7S MolecularWeight: 442.44182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H18N2O7S/c1-3-30-21(26)18-19(25)17(11-12-4-9-16(29-2)15(24)10-12)31-20(18)22-13-5-7-14(8-6-13)23(27)28/h4-11,22,24H,3H2,1-2H3/b17-11+