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

Systemtic Name: (3-methoxycarbonylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (3-carbomethoxybenzyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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