2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14N2O5S/c1-10-6-7-11(18(22)23)8-13(10)17-15(19)9-24-14-5-3-2-4-12(14)16(20)21/h2-8H,9H2,1H3,(H,17,19)(H,20,21)