methyl 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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