2-(4-cyano-3-fluoranyl-phenyl)-4-ethyl-benzoate

Systemtic Name: 2-(4-cyano-3-fluoranyl-phenyl)-4-ethyl-benzoate Openeye Name: 2-(4-cyano-3-fluoro-phenyl)-4-ethyl-benzoate CAS Name: 2-(4-cyano-3-fluorophenyl)-4-ethylbenzoate IUPAC Name: 2-(4-cyano-3-fluorophenyl)-4-ethylbenzoate Traditional Name: 2-(4-cyano-3-fluoro-phenyl)-4-ethyl-benzoate Formula: C16H11FNO2- MolecularWeight: 268.262443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)[O-])C2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)[O-])C2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C16H12FNO2/c1-2-10-3-6-13(16(19)20)14(7-10)11-4-5-12(9-18)15(17)8-11/h3-8H,2H2,1H3,(H,19,20)/p-1