methyl 2-cyano-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-cyano-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate Openeye Name: methyl 2-cyano-4,4,4-trifluoro-3-oxo-butanoate CAS Name: 2-cyano-4,4,4-trifluoro-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-cyano-4,4,4-trifluoro-3-oxobutanoate Traditional Name: 2-cyano-4,4,4-trifluoro-3-keto-butyric acid methyl ester Formula: C6H4F3NO3 MolecularWeight: 195.09607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H4F3NO3/c1-13-5(12)3(2-10)4(11)6(7,8)9/h3H,1H3