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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-5-nitro-benzonitrile CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-5-nitrobenzonitrile Traditional Name: 2-[homoveratryl(methyl)amino]-5-nitro-benzonitrile Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-20(16-6-5-15(21(22)23)11-14(16)12-19)9-8-13-4-7-17(24-2)18(10-13)25-3/h4-7,10-11H,8-9H2,1-3H3