2-(3-cyano-4-fluoranyl-phenyl)ethanoate

Systemtic Name: 2-(3-cyano-4-fluoranyl-phenyl)ethanoate Openeye Name: 2-(3-cyano-4-fluoro-phenyl)acetate CAS Name: 2-(3-cyano-4-fluorophenyl)acetate IUPAC Name: 2-(3-cyano-4-fluorophenyl)acetate Traditional Name: 2-(3-cyano-4-fluoro-phenyl)acetate Formula: C9H5FNO2- MolecularWeight: 178.139903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)[O-])C#N)F

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)[O-])C#N)F

InChI

InChI=1S/C9H6FNO2/c10-8-2-1-6(4-9(12)13)3-7(8)5-11/h1-3H,4H2,(H,12,13)/p-1