(4-cyano-2-fluoranyl-phenyl) 4-ethylbenzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl) 4-ethylbenzoate Openeye Name: (4-cyano-2-fluoro-phenyl) 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid (4-cyano-2-fluorophenyl) ester IUPAC Name: (4-cyano-2-fluorophenyl) 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (4-cyano-2-fluoro-phenyl) ester Formula: C16H12FNO2 MolecularWeight: 269.270383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)F

InChI

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