(4-nitrophenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (4-nitrobenzyl) ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O5/c21-17-5-3-15(4-6-17)19(24)22-11-9-16(10-12-22)20(25)28-13-14-1-7-18(8-2-14)23(26)27/h1-8,16H,9-13H2