N-[2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-methyl-3-nitro-benzoyl)piperazino]ethyl]-piperonylamide Formula: C22H24N4O6 MolecularWeight: 440.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N4O6/c1-15-17(3-2-4-18(15)26(29)30)22(28)25-11-9-24(10-12-25)8-7-23-21(27)16-5-6-19-20(13-16)32-14-31-19/h2-6,13H,7-12,14H2,1H3,(H,23,27)