[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-sulfanylbenzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-sulfanylbenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-10-6-7-11(8-13(10)17(20)21)14(18)9-22-16(19)12-4-2-3-5-15(12)23/h2-8,23H,9H2,1H3