ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-nitrophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-nitrophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(4-nitroanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitroanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitroanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-4-keto-2-(4-nitroanilino)-5-piperonylidene-thiophene-3-carboxylic acid ethyl ester Formula: C21H16N2O7S MolecularWeight: 440.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O7S/c1-2-28-21(25)18-19(24)17(10-12-3-8-15-16(9-12)30-11-29-15)31-20(18)22-13-4-6-14(7-5-13)23(26)27/h3-10,22H,2,11H2,1H3/b17-10-