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

Systemtic Name: 3-[3-nitro-4-(4-phenylmethoxyphenoxy)phenoxy]propan-1-amine hydrochloride Openeye Name: 3-[4-(4-benzyloxyphenoxy)-3-nitro-phenoxy]propan-1-amine hydrochloride CAS Name: 3-[3-nitro-4-(4-phenylmethoxyphenoxy)phenoxy]-1-propanamine hydrochloride IUPAC Name: 3-[3-nitro-4-(4-phenylmethoxyphenoxy)phenoxy]propan-1-amine hydrochloride Traditional Name: 3-[4-(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=C(C=C3)OCCCN)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=C(C=C3)OCCCN)[N+](=O)[O-].Cl

InChI

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