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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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