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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 1-ethoxy-2,4-dinitro-benzene; hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 1-ethoxy-2,4-dinitro-benzene; hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 1-ethoxy-2,4-dinitrobenzene; hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 1-ethoxy-2,4-dinitrobenzene; hydrochloride Traditional Name: 1-ethoxy-2,4-dinitro-benzene; homoveratryl(methyl)amine; hydrochloride Formula: C19H26ClN3O7 MolecularWeight: 443.87864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO2.C8H8N2O5.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14;/h4-5,8,12H,6-7H2,1-3H3;3-5H,2H2,1H3;1H