1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-nitrophenyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol Traditional Name: 1-[4-(2-nitrophenyl)piperazino]-3-piperonyloxy-propan-2-ol Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c25-17(14-28-13-16-5-6-20-21(11-16)30-15-29-20)12-22-7-9-23(10-8-22)18-3-1-2-4-19(18)24(26)27/h1-6,11,17,25H,7-10,12-15H2