2-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-4-phenyl-butanenitrile

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-4-phenyl-butanenitrile Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4-phenyl-butanenitrile CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4-phenylbutanenitrile IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4-phenylbutanenitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-keto-4-phenyl-butyronitrile Formula: C18H11F6NO MolecularWeight: 371.276459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6NO/c19-17(20,21)13-7-12(8-14(9-13)18(22,23)24)15(10-25)16(26)6-11-4-2-1-3-5-11/h1-5,7-9,15H,6H2