5-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrazole-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-(2,2,2-trifluoroethyl)-2-pyrazoline-3-carboxylic acid Formula: C6H5F3N2O3 MolecularWeight: 210.11071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5F3N2O3/c7-6(8,9)2-11-4(12)1-3(10-11)5(13)14/h1-2H2,(H,13,14)