1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 2-(2-nitrophenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c24-20(13-27-17-4-2-1-3-16(17)23(25)26)22-9-7-21(8-10-22)12-15-5-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2