(2,5-dimethoxyphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (2,5-dimethoxyphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (2,5-dimethoxybenzyl) ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-27-17-7-8-20(28-2)16(13-17)14-29-21(24)15-9-11-22(12-10-15)18-5-3-4-6-19(18)23(25)26/h3-8,13,15H,9-12,14H2,1-2H3