2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 1-ethoxy-2-fluoranyl-4-nitro-benzene; hydrochloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 1-ethoxy-2-fluoranyl-4-nitro-benzene; hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 1-ethoxy-2-fluoro-4-nitro-benzene; hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 1-ethoxy-2-fluoro-4-nitrobenzene; hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 1-ethoxy-2-fluoro-4-nitrobenzene; hydrochloride Traditional Name: 1-ethoxy-2-fluoro-4-nitro-benzene; homoveratryl(methyl)amine; hydrochloride Formula: C19H26ClFN2O5 MolecularWeight: 416.871543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])F.CNCCC1=CC(=C(C=C1)OC)OC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])F.CNCCC1=CC(=C(C=C1)OC)OC.Cl

InChI

InChI=1S/C11H17NO2.C8H8FNO3.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;1-2-13-8-4-3-6(10(11)12)5-7(8)9;/h4-5,8,12H,6-7H2,1-3H3;3-5H,2H2,1H3;1H