4-[3-(3-chloranyl-5-fluoranyl-phenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 4-[3-(3-chloranyl-5-fluoranyl-phenyl)propanoyl]benzenecarbonitrile Openeye Name: 4-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzonitrile CAS Name: 4-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile IUPAC Name: 4-[3-(3-chloro-5-fluorophenyl)propanoyl]benzonitrile Traditional Name: 4-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzonitrile Formula: C16H11ClFNO MolecularWeight: 287.716043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CCC2=CC(=CC(=C2)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CCC2=CC(=CC(=C2)Cl)F

InChI

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