(1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-propylbenzoate

Systemtic Name: (1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-propylbenzoate Openeye Name: (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) 4-propylbenzoate CAS Name: 4-propylbenzoic acid (1-cyano-6-fluoro-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (1-cyano-6-fluorocyclohexa-2,4-dien-1-yl) 4-propylbenzoate Traditional Name: 4-propylbenzoic acid (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) ester Formula: C17H16FNO2 MolecularWeight: 285.312843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2(C=CC=CC2F)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2(C=CC=CC2F)C#N

InChI

InChI=1S/C17H16FNO2/c1-2-5-13-7-9-14(10-8-13)16(20)21-17(12-19)11-4-3-6-15(17)18/h3-4,6-11,15H,2,5H2,1H3