1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-3-(3-nitrophenoxy)propan-2-ol Formula: C22H27N3O6 MolecularWeight: 429.46628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H27N3O6/c26-19(16-31-20-3-1-2-18(13-20)25(27)28)15-24-8-6-23(7-9-24)14-17-4-5-21-22(12-17)30-11-10-29-21/h1-5,12-13,19,26H,6-11,14-16H2