4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-benzonitrile CAS Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methylbenzonitrile IUPAC Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methylbenzonitrile Traditional Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-benzonitrile Formula: C16H9F3N2 MolecularWeight: 286.25127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)C#N

InChI

InChI=1S/C16H9F3N2/c1-10-7-11(3-4-13(10)9-20)12-5-6-15(21-2)14(8-12)16(17,18)19/h3-8H,1H3