3-[3-nitro-2-(4-phenylmethoxyphenoxy)phenoxy]propan-1-amine hydrochloride

Systemtic Name: 3-[3-nitro-2-(4-phenylmethoxyphenoxy)phenoxy]propan-1-amine hydrochloride Openeye Name: 3-[2-(4-benzyloxyphenoxy)-3-nitro-phenoxy]propan-1-amine hydrochloride CAS Name: 3-[3-nitro-2-(4-phenylmethoxyphenoxy)phenoxy]-1-propanamine hydrochloride IUPAC Name: 3-[3-nitro-2-(4-phenylmethoxyphenoxy)phenoxy]propan-1-amine hydrochloride Traditional Name: 3-[2-(4-benzoxyphenoxy)-3-nitro-phenoxy]propylamine hydrochloride Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=CC=C3OCCCN)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=CC=C3OCCCN)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H22N2O5.ClH/c23-14-5-15-27-21-9-4-8-20(24(25)26)22(21)29-19-12-10-18(11-13-19)28-16-17-6-2-1-3-7-17;/h1-4,6-13H,5,14-16,23H2;1H