2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-5-nitro-benzenecarbonitrile hydrochloride

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-5-nitro-benzenecarbonitrile hydrochloride Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-5-nitro-benzonitrile hydrochloride CAS Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]-5-nitrobenzonitrile hydrochloride IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]-5-nitrobenzonitrile hydrochloride Traditional Name: 2-[2-[homoveratryl(methyl)amino]ethoxy]-5-nitro-benzonitrile hydrochloride Formula: C20H24ClN3O5 MolecularWeight: 421.87466

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CCOC2=C(C=C(C=C2)[N+](=O)[O-])C#N.Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CCOC2=C(C=C(C=C2)[N+](=O)[O-])C#N.Cl

InChI

InChI=1S/C20H23N3O5.ClH/c1-22(9-8-15-4-6-19(26-2)20(12-15)27-3)10-11-28-18-7-5-17(23(24)25)13-16(18)14-21;/h4-7,12-13H,8-11H2,1-3H3;1H