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

Systemtic Name: (4-methylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: p-tolylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (4-methylbenzyl) ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-15-6-8-16(9-7-15)14-26-20(23)17-10-12-21(13-11-17)18-4-2-3-5-19(18)22(24)25/h2-9,17H,10-14H2,1H3