2-(2,5-dimethyl-4-nitro-phenyl)-2-[3-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-(2,5-dimethyl-4-nitro-phenyl)-2-[3-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-(2,5-dimethyl-4-nitro-phenyl)-2-[3-(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-(2,5-dimethyl-4-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-(2,5-dimethyl-4-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-(2,5-dimethyl-4-nitro-phenyl)-2-[3-(trifluoromethyl)phenyl]acetonitrile Formula: C17H13F3N2O2 MolecularWeight: 334.29253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C#N)C2=CC(=CC=C2)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C(C#N)C2=CC(=CC=C2)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O2/c1-10-7-16(22(23)24)11(2)6-14(10)15(9-21)12-4-3-5-13(8-12)17(18,19)20/h3-8,15H,1-2H3