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

Systemtic Name: (3-methylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: m-tolylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (3-methylbenzyl) ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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