2-[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl]thio]benzoic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=CC=CC=C2C(=O)O

InChI

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