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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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