4-[2,6-bis(fluoranyl)-6-methyl-5-propanoyl-cyclohexa-1,3-dien-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2,6-bis(fluoranyl)-6-methyl-5-propanoyl-cyclohexa-1,3-dien-1-yl]benzenecarbonitrile Openeye Name: 4-(2,6-difluoro-6-methyl-5-propanoyl-cyclohexa-1,3-dien-1-yl)benzonitrile CAS Name: 4-[2,6-difluoro-6-methyl-5-(1-oxopropyl)-1-cyclohexa-1,3-dienyl]benzonitrile IUPAC Name: 4-(2,6-difluoro-6-methyl-5-propanoylcyclohexa-1,3-dien-1-yl)benzonitrile Traditional Name: 4-(2,6-difluoro-6-methyl-5-propionyl-cyclohexa-1,3-dien-1-yl)benzonitrile Formula: C17H15F2NO MolecularWeight: 287.303906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F2NO/c1-3-15(21)13-8-9-14(18)16(17(13,2)19)12-6-4-11(10-20)5-7-12/h4-9,13H,3H2,1-2H3