3-[(4Z)-5-oxidanylidene-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4Z)-5-oxidanylidene-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-5-oxo-4-[(5-phenyl-2-furyl)methylene]-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-5-oxo-4-[(5-phenyl-2-furanyl)methylidene]-3-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-5-oxo-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-5-keto-4-[(5-phenyl-2-furyl)methylene]-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoate Formula: C22H12F3N2O4- MolecularWeight: 425.33689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=CC(=C4)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C22H13F3N2O4/c23-22(24,25)19-17(12-16-9-10-18(31-16)13-5-2-1-3-6-13)20(28)27(26-19)15-8-4-7-14(11-15)21(29)30/h1-12H,(H,29,30)/p-1/b17-12-