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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-ethyl-4-(3-methylpiperidino)-3-nitro-N-piperonyl-benzamide Formula: C23H27N3O5 MolecularWeight: 425.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4CCCC(C4)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4CCCC(C4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-3-24(14-17-6-9-21-22(11-17)31-15-30-21)23(27)18-7-8-19(20(12-18)26(28)29)25-10-4-5-16(2)13-25/h6-9,11-12,16H,3-5,10,13-15H2,1-2H3