[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H14ClNO5S MolecularWeight: 379.81476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO5S/c1-10-3-4-11(7-15(10)19(22)23)16(20)9-24-17(21)13-8-12(25-2)5-6-14(13)18/h3-8H,9H2,1-2H3