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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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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=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H16N2O7S/c1-11(16(20)18-12-7-9-13(10-8-12)19(22)23)26-17(21)14-5-3-4-6-15(14)27(2,24)25/h3-11H,1-2H3,(H,18,20)