[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-pyrrolidinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCCN2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCCN2S(=O)(=O)C

InChI

InChI=1S/C15H19N3O7S/c1-10(14(19)16-11-5-3-6-12(9-11)18(21)22)25-15(20)13-7-4-8-17(13)26(2,23)24/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,16,19)