1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-(4-nitrophenoxy)-2-propanol hydrochloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNCC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNCC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C18H20N2O6.ClH/c21-14(11-24-15-7-5-13(6-8-15)20(22)23)9-19-10-16-12-25-17-3-1-2-4-18(17)26-16;/h1-8,14,16,19,21H,9-12H2;1H