(4-methoxycarbonylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (4-carbomethoxybenzyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-28-20(24)16-8-6-15(7-9-16)14-29-21(25)17-10-12-22(13-11-17)18-4-2-3-5-19(18)23(26)27/h2-9,17H,10-14H2,1H3