N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: 5-nitro-2-piperidino-N-veratryl-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)OC

InChI

InChI=1S/C21H25N3O5/c1-28-19-9-6-15(12-20(19)29-2)14-22-21(25)17-13-16(24(26)27)7-8-18(17)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,22,25)