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

Systemtic Name: 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Openeye Name: 1-(isochroman-1-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride CAS Name: 1-(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-3-(4-nitrophenoxy)-2-propanol hydrochloride IUPAC Name: 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Traditional Name: 1-(isochroman-1-ylmethylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Formula: C19H23ClN2O5 MolecularWeight: 394.84932

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNCC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNCC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C19H22N2O5.ClH/c22-16(13-26-17-7-5-15(6-8-17)21(23)24)11-20-12-19-18-4-2-1-3-14(18)9-10-25-19;/h1-8,16,19-20,22H,9-13H2;1H