2-(3,4-dimethoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenyl]acetonitrile Formula: C17H13F3N2O4 MolecularWeight: 366.29133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C17H13F3N2O4/c1-25-15-6-3-10(7-16(15)26-2)13(9-21)12-5-4-11(22(23)24)8-14(12)17(18,19)20/h3-8,13H,1-2H3