3-[3-(3-chloranyl-5-fluoranyl-phenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 3-[3-(3-chloranyl-5-fluoranyl-phenyl)propanoyl]benzenecarbonitrile Openeye Name: 3-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzonitrile CAS Name: 3-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile IUPAC Name: 3-[3-(3-chloro-5-fluorophenyl)propanoyl]benzonitrile Traditional Name: 3-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzonitrile Formula: C16H11ClFNO MolecularWeight: 287.716043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClFNO/c17-14-7-11(8-15(18)9-14)4-5-16(20)13-3-1-2-12(6-13)10-19/h1-3,6-9H,4-5H2