[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C16H13ClN2O6S MolecularWeight: 396.80222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H13ClN2O6S/c17-14-6-5-13(26-14)12(20)4-7-16(22)25-9-15(21)18-10-2-1-3-11(8-10)19(23)24/h1-3,5-6,8H,4,7,9H2,(H,18,21)