methyl 3-[3,4-bis(fluoranyl)phenyl]-3-cyano-propanoate

Systemtic Name: methyl 3-[3,4-bis(fluoranyl)phenyl]-3-cyano-propanoate Openeye Name: methyl 3-cyano-3-(3,4-difluorophenyl)propanoate CAS Name: 3-cyano-3-(3,4-difluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-(3,4-difluorophenyl)propanoate Traditional Name: 3-cyano-3-(3,4-difluorophenyl)propionic acid methyl ester Formula: C11H9F2NO2 MolecularWeight: 225.191466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F2NO2/c1-16-11(15)5-8(6-14)7-2-3-9(12)10(13)4-7/h2-4,8H,5H2,1H3