4-[5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid Traditional Name: 4-[5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C11H7F3N2O3 MolecularWeight: 272.18009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7F3N2O3/c12-11(13,14)8-5-9(17)16(15-8)7-3-1-6(2-4-7)10(18)19/h1-4H,5H2,(H,18,19)