2-[3-[3,4,5-tris(fluoranyl)phenyl]propanoyl]benzenecarbonitrile

Systemtic Name: 2-[3-[3,4,5-tris(fluoranyl)phenyl]propanoyl]benzenecarbonitrile Openeye Name: 2-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile CAS Name: 2-[1-oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile IUPAC Name: 2-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile Traditional Name: 2-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile Formula: C16H10F3NO MolecularWeight: 289.25191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(=O)CCC2=CC(=C(C(=C2)F)F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(=O)CCC2=CC(=C(C(=C2)F)F)F

InChI

InChI=1S/C16H10F3NO/c17-13-7-10(8-14(18)16(13)19)5-6-15(21)12-4-2-1-3-11(12)9-20/h1-4,7-8H,5-6H2