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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(piperidin-4-ylamino)benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(4-piperidylamino)benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(4-piperidinylamino)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(piperidin-4-ylamino)benzamide Traditional Name: 5-nitro-2-(4-piperidylamino)-N-veratryl-benzamide Formula: C21H26N4O5 MolecularWeight: 414.45494

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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-])NC3CCNCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCNCC3)OC

InChI

InChI=1S/C21H26N4O5/c1-29-19-6-3-14(11-20(19)30-2)13-23-21(26)17-12-16(25(27)28)4-5-18(17)24-15-7-9-22-10-8-15/h3-6,11-12,15,22,24H,7-10,13H2,1-2H3,(H,23,26)