(4-nitrophenyl) 1-(3,5-dimethoxyphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl) 1-(3,5-dimethoxyphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl) 1-(3,5-dimethoxybenzoyl)piperidine-4-carboxylate CAS Name: 1-[(3,5-dimethoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-(3,5-dimethoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethoxybenzoyl)isonipecotic acid (4-nitrophenyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-28-18-11-15(12-19(13-18)29-2)20(24)22-9-7-14(8-10-22)21(25)30-17-5-3-16(4-6-17)23(26)27/h3-6,11-14H,7-10H2,1-2H3