N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitrobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-4-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O5/c1-23-8-10-24(11-9-23)18(16-4-7-19-20(12-16)30-14-29-19)13-22-21(26)15-2-5-17(6-3-15)25(27)28/h2-7,12,18H,8-11,13-14H2,1H3,(H,22,26)