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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 1-ethoxy-2,4-dinitro-benzene Openeye Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 1-ethoxy-2,4-dinitro-benzene CAS Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 1-ethoxy-2,4-dinitrobenzene IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 1-ethoxy-2,4-dinitrobenzene Traditional Name: 1-ethoxy-2,4-dinitro-benzene; homoveratryl(methyl)amine Formula: C19H25N3O7 MolecularWeight: 407.4177

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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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO2.C8H8N2O5/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