(2,4-dimethylphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (2,4-dimethylphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (2,4-dimethylphenyl) ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-14-7-8-19(15(2)13-14)26-20(23)16-9-11-21(12-10-16)17-5-3-4-6-18(17)22(24)25/h3-8,13,16H,9-12H2,1-2H3