methyl 4-[5-[[5-oxidanylidene-1-phenyl-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[[5-oxidanylidene-1-phenyl-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[[5-oxo-1-phenyl-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[5-oxo-1-phenyl-3-(trifluoromethyl)-4-pyrazolylidene]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[5-oxo-1-phenyl-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[5-keto-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester Formula: C23H15F3N2O4 MolecularWeight: 440.37141

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H15F3N2O4/c1-31-22(30)15-9-7-14(8-10-15)19-12-11-17(32-19)13-18-20(23(24,25)26)27-28(21(18)29)16-5-3-2-4-6-16/h2-13H,1H3