methyl (E)-3-chloranyl-2-cyano-4,4-bis(fluoranyl)but-2-enoate

Systemtic Name: methyl (E)-3-chloranyl-2-cyano-4,4-bis(fluoranyl)but-2-enoate Openeye Name: methyl (E)-3-chloro-2-cyano-4,4-difluoro-but-2-enoate CAS Name: (E)-3-chloro-2-cyano-4,4-difluoro-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-chloro-2-cyano-4,4-difluorobut-2-enoate Traditional Name: (E)-3-chloro-2-cyano-4,4-difluoro-but-2-enoic acid methyl ester Formula: C6H4ClF2NO2 MolecularWeight: 195.551266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)/C(=C(\C(F)F)/Cl)/C#N

InChI

InChI=1S/C6H4ClF2NO2/c1-12-6(11)3(2-10)4(7)5(8)9/h5H,1H3/b4-3+