4-[5-[[1-(4-carboxyphenyl)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[[1-(4-carboxyphenyl)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[[1-(4-carboxyphenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 4-[5-[[1-(4-carboxyphenyl)-5-oxo-3-(trifluoromethyl)-4-pyrazolylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[[1-(4-carboxyphenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[[1-(4-carboxyphenyl)-5-keto-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoic acid Formula: C23H13F3N2O6 MolecularWeight: 470.35433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H13F3N2O6/c24-23(25,26)19-17(20(29)28(27-19)15-7-5-14(6-8-15)22(32)33)11-16-9-10-18(34-16)12-1-3-13(4-2-12)21(30)31/h1-11H,(H,30,31)(H,32,33)