1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 2-(2-nitrophenyl)-1-(4-piperonyloylpiperazino)ethanone Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O6/c24-19(12-14-3-1-2-4-16(14)23(26)27)21-7-9-22(10-8-21)20(25)15-5-6-17-18(11-15)29-13-28-17/h1-6,11H,7-10,12-13H2