3-[2,6-bis(fluoranyl)-4-(4-methylcyclohexa-2,4-dien-1-yl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[2,6-bis(fluoranyl)-4-(4-methylcyclohexa-2,4-dien-1-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[2,6-difluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[2,6-difluoro-4-(4-methyl-1-cyclohexa-2,4-dienyl)phenyl]-2-propynenitrile IUPAC Name: 3-[2,6-difluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[2,6-difluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)phenyl]propiolonitrile Formula: C16H11F2N MolecularWeight: 255.262046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C=C1)C2=CC(=C(C(=C2)F)C#CC#N)F

Isomeric SMILES

CC1=CCC(C=C1)C2=CC(=C(C(=C2)F)C#CC#N)F

InChI

InChI=1S/C16H11F2N/c1-11-4-6-12(7-5-11)13-9-15(17)14(3-2-8-19)16(18)10-13/h4-6,9-10,12H,7H2,1H3