2-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]thio]benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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