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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-4-piperidino-N-piperonyl-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-20(21-12-14-4-7-18-19(10-14)28-13-27-18)15-5-6-16(17(11-15)23(25)26)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12-13H2,(H,21,24)