1-[1,3-benzodioxol-5-yl(ethyl)amino]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[1,3-benzodioxol-5-yl(ethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[1,3-benzodioxol-5-yl(ethyl)amino]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[1,3-benzodioxol-5-yl(ethyl)amino]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[1,3-benzodioxol-5-yl(ethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[1,3-benzodioxol-5-yl(ethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(COC1=CC=C(C=C1)[N+](=O)[O-])O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC(COC1=CC=C(C=C1)[N+](=O)[O-])O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O6/c1-2-19(14-5-8-17-18(9-14)26-12-25-17)10-15(21)11-24-16-6-3-13(4-7-16)20(22)23/h3-9,15,21H,2,10-12H2,1H3