3-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[4-(3-ethoxy-4-propargyloxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C23H17F3N2O5 MolecularWeight: 458.38669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C(F)(F)F)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C(F)(F)F)OCC#C

InChI

InChI=1S/C23H17F3N2O5/c1-3-10-33-18-9-8-14(12-19(18)32-4-2)11-17-20(23(24,25)26)27-28(21(17)29)16-7-5-6-15(13-16)22(30)31/h1,5-9,11-13H,4,10H2,2H3,(H,30,31)