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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 2-(3-methyl-4-nitro-phenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-15-10-17(3-4-18(15)24(26)27)28-13-21(25)23-8-6-22(7-9-23)12-16-2-5-19-20(11-16)30-14-29-19/h2-5,10-11H,6-9,12-14H2,1H3