[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-methylsulfinylbenzoate CAS Name: 4-methylsulfinylbenzoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-methylsulfinylbenzoate Traditional Name: 4-methylsulfinylbenzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=C(C=C2)S(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=C(C=C2)S(=O)C

InChI

InChI=1S/C17H15ClN2O6S/c1-10(26-17(22)11-3-6-13(7-4-11)27(2)25)16(21)19-15-8-5-12(20(23)24)9-14(15)18/h3-10H,1-2H3,(H,19,21)