[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-methylsulfinylbenzoate CAS Name: 4-methylsulfinylbenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-methylsulfinylbenzoate Traditional Name: 4-methylsulfinylbenzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c1-11(16(20)18-13-5-7-14(8-6-13)19(22)23)25-17(21)12-3-9-15(10-4-12)26(2)24/h3-11H,1-2H3,(H,18,20)