methyl 2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylethanoate Openeye Name: methyl 2-(4-benzoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-benzoyl-2-nitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-benzoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-benzoyl-2-nitro-phenyl)thio]acetic acid methyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

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