1-[4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-nitro-phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c1-13(24)14-2-4-16(17(10-14)23(26)27)21-6-8-22(9-7-21)20(25)15-3-5-18-19(11-15)29-12-28-18/h2-5,10-11H,6-9,12H2,1H3