2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: N-(2-nitrophenyl)-2-(4-piperonylpiperazino)propionamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

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