[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-pyrrolidinecarboxylic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H18ClN3O7S MolecularWeight: 419.83732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O7S/c1-9(26-15(21)13-4-3-7-18(13)27(2,24)25)14(20)17-12-8-10(19(22)23)5-6-11(12)16/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,20)