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

Systemtic Name: (4-nitrophenyl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid (4-nitrobenzyl) ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-15-4-2-3-5-19(15)20(24)22-12-10-17(11-13-22)21(25)28-14-16-6-8-18(9-7-16)23(26)27/h2-9,17H,10-14H2,1H3