3-[2,4-bis(fluoranyl)phenyl]-3-cyano-pentanedioic acid

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-3-cyano-pentanedioic acid Openeye Name: 3-cyano-3-(2,4-difluorophenyl)pentanedioic acid CAS Name: 3-cyano-3-(2,4-difluorophenyl)pentanedioic acid IUPAC Name: 3-cyano-3-(2,4-difluorophenyl)pentanedioic acid Traditional Name: 3-cyano-3-(2,4-difluorophenyl)glutaric acid Formula: C12H9F2NO4 MolecularWeight: 269.200966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C(CC(=O)O)(CC(=O)O)C#N

Isomeric SMILES

C1=CC(=C(C=C1F)F)C(CC(=O)O)(CC(=O)O)C#N

InChI

InChI=1S/C12H9F2NO4/c13-7-1-2-8(9(14)3-7)12(6-15,4-10(16)17)5-11(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)