N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: 2-(4-methylpiperidino)-5-nitro-N-piperonyl-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5/c1-14-6-8-23(9-7-14)18-4-3-16(24(26)27)11-17(18)21(25)22-12-15-2-5-19-20(10-15)29-13-28-19/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,22,25)