N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-piperonylamide Formula: C20H20N4O6 MolecularWeight: 412.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O6/c25-19(12-21-20(26)14-1-6-17-18(11-14)30-13-29-17)23-9-7-22(8-10-23)15-2-4-16(5-3-15)24(27)28/h1-6,11H,7-10,12-13H2,(H,21,26)