2-[3-cyano-4-[3-fluoranyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-[3-fluoranyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Formula: C14H8F4N2O2 MolecularWeight: 312.219133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)F)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)F)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C14H8F4N2O2/c15-11-2-8(1-10(3-11)14(16,17)18)12-6-20(7-13(21)22)5-9(12)4-19/h1-3,5-6H,7H2,(H,21,22)