[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c1-24-15-9-13(26-2)6-7-14(15)17(21)25-10-16(20)18-11-4-3-5-12(8-11)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)