2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]thio]benzoic acid Formula: C16H14N2O6S MolecularWeight: 362.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14N2O6S/c1-24-13-8-10(18(22)23)6-7-12(13)17-15(19)9-25-14-5-3-2-4-11(14)16(20)21/h2-8H,9H2,1H3,(H,17,19)(H,20,21)