2-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-(phenylcarbonyl)butanenitrile

Systemtic Name: 2-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-(phenylcarbonyl)butanenitrile Openeye Name: 2-benzoyl-2-[2-chloro-4-(trifluoromethyl)phenyl]butanenitrile CAS Name: 2-benzoyl-2-[2-chloro-4-(trifluoromethyl)phenyl]butanenitrile IUPAC Name: 2-benzoyl-2-[2-chloro-4-(trifluoromethyl)phenyl]butanenitrile Traditional Name: 2-benzoyl-2-[2-chloro-4-(trifluoromethyl)phenyl]butyronitrile Formula: C18H13ClF3NO MolecularWeight: 351.75013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3NO/c1-2-17(11-23,16(24)12-6-4-3-5-7-12)14-9-8-13(10-15(14)19)18(20,21)22/h3-10H,2H2,1H3