3,3-dimethylbutan-2-yl 2-cyano-2-fluoranyl-2-phenyl-ethanoate

Systemtic Name: 3,3-dimethylbutan-2-yl 2-cyano-2-fluoranyl-2-phenyl-ethanoate Openeye Name: 1,2,2-trimethylpropyl 2-cyano-2-fluoro-2-phenyl-acetate CAS Name: 2-cyano-2-fluoro-2-phenylacetic acid 3,3-dimethylbutan-2-yl ester IUPAC Name: 3,3-dimethylbutan-2-yl 2-cyano-2-fluoro-2-phenylacetate Traditional Name: 2-cyano-2-fluoro-2-phenyl-acetic acid 1,2,2-trimethylpropyl ester Formula: C15H18FNO2 MolecularWeight: 263.307323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18FNO2/c1-11(14(2,3)4)19-13(18)15(16,10-17)12-8-6-5-7-9-12/h5-9,11H,1-4H3