N-[(3,4-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)-N-veratryl-isonipecotamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-28-19-8-7-15(13-20(19)29-2)14-22-21(25)16-9-11-23(12-10-16)17-5-3-4-6-18(17)24(26)27/h3-8,13,16H,9-12,14H2,1-2H3,(H,22,25)