[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C17H15ClN2O7S MolecularWeight: 426.8282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O7S/c1-10(16(21)19-11-3-5-12(6-4-11)20(23)24)27-17(22)14-9-13(28(2,25)26)7-8-15(14)18/h3-10H,1-2H3,(H,19,21)