(2R)-1-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: (2R)-1-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-3-(propan-2-ylamino)propan-2-ol Openeye Name: (2R)-1-(isopropylamino)-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]propan-2-ol CAS Name: (2R)-1-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-3-(propan-2-ylamino)-2-propanol IUPAC Name: (2R)-1-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-3-(propan-2-ylamino)propan-2-ol Traditional Name: (2R)-1-(isopropylamino)-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]propan-2-ol Formula: C14H20N2O6 MolecularWeight: 312.3184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC(=CC2=C1OCCO2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)NC[C@H](COC1=CC(=CC2=C1OCCO2)[N+](=O)[O-])O

InChI

InChI=1S/C14H20N2O6/c1-9(2)15-7-11(17)8-22-13-6-10(16(18)19)5-12-14(13)21-4-3-20-12/h5-6,9,11,15,17H,3-4,7-8H2,1-2H3/t11-/m1/s1