(4-cyanophenyl) 2,6-bis(fluoranyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)benzoate

Systemtic Name: (4-cyanophenyl) 2,6-bis(fluoranyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)benzoate Openeye Name: (4-cyanophenyl) 2,6-difluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)benzoate CAS Name: 2,6-difluoro-4-(4-methyl-1-cyclohexa-1,3-dienyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,6-difluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)benzoate Traditional Name: 2,6-difluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)benzoic acid (4-cyanophenyl) ester Formula: C21H15F2NO2 MolecularWeight: 351.346106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C21H15F2NO2/c1-13-2-6-15(7-3-13)16-10-18(22)20(19(23)11-16)21(25)26-17-8-4-14(12-24)5-9-17/h2,4-6,8-11H,3,7H2,1H3