tert-butyl 3-cyano-4-fluoranyl-benzoate

Systemtic Name: tert-butyl 3-cyano-4-fluoranyl-benzoate Openeye Name: tert-butyl 3-cyano-4-fluoro-benzoate CAS Name: 3-cyano-4-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-4-fluorobenzoate Traditional Name: 3-cyano-4-fluoro-benzoic acid tert-butyl ester Formula: C12H12FNO2 MolecularWeight: 221.227583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)C#N

InChI

InChI=1S/C12H12FNO2/c1-12(2,3)16-11(15)8-4-5-10(13)9(6-8)7-14/h4-6H,1-3H3