[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN2O5/c1-14(20(25)16-5-4-6-17(22)13-16)29-21(26)15-9-11-23(12-10-15)18-7-2-3-8-19(18)24(27)28/h2-8,13-15H,9-12H2,1H3