2-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]thio]benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S/c1-10(24-14-9-5-2-6-11(14)16(20)21)15(19)17-12-7-3-4-8-13(12)18(22)23/h2-10H,1H3,(H,17,19)(H,20,21)/t10-/m0/s1