2-oxidanylidene-2-[5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetic acid CAS Name: 2-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid IUPAC Name: 2-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid Traditional Name: 2-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid Formula: C12H9F3N2O4 MolecularWeight: 302.20607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C12H9F3N2O4/c13-12(14,15)11(21)6-8(7-4-2-1-3-5-7)16-17(11)9(18)10(19)20/h1-5,21H,6H2,(H,19,20)