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

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O6/c23-19(12-26-16-5-6-17-18(11-16)28-13-27-17)21-9-7-20(8-10-21)14-1-3-15(4-2-14)22(24)25/h1-6,11H,7-10,12-13H2