(4-cyano-3-fluoranyl-phenyl) 4-[(E)-hept-2-enoyl]oxybenzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[(E)-hept-2-enoyl]oxybenzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-[(E)-hept-2-enoyl]oxybenzoate CAS Name: 4-[(E)-1-oxohept-2-enoxy]benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-[(E)-hept-2-enoyl]oxybenzoate Traditional Name: 4-[(E)-hept-2-enoyl]oxybenzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C21H18FNO4 MolecularWeight: 367.370323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CCCC/C=C/C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C21H18FNO4/c1-2-3-4-5-6-20(24)26-17-10-7-15(8-11-17)21(25)27-18-12-9-16(14-23)19(22)13-18/h5-13H,2-4H2,1H3/b6-5+