ethyl 3-[4-cyano-2,5-bis(fluoranyl)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-cyano-2,5-bis(fluoranyl)phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(4-cyano-2,5-difluoro-phenyl)-3-oxo-propanoate CAS Name: 3-(4-cyano-2,5-difluorophenyl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-cyano-2,5-difluorophenyl)-3-oxopropanoate Traditional Name: 3-(4-cyano-2,5-difluoro-phenyl)-3-keto-propionic acid ethyl ester Formula: C12H9F2NO3 MolecularWeight: 253.201566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F2NO3/c1-2-18-12(17)5-11(16)8-4-9(13)7(6-15)3-10(8)14/h3-4H,2,5H2,1H3