3-[4-[[5-[3,5-bis(chloranyl)phenyl]furan-2-yl]methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-[[5-[3,5-bis(chloranyl)phenyl]furan-2-yl]methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[[5-(3,5-dichlorophenyl)-2-furyl]methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[[5-(3,5-dichlorophenyl)-2-furanyl]methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[4-[[5-(3,5-dichlorophenyl)-2-furyl]methylene]-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C22H11Cl2F3N2O4 MolecularWeight: 495.23495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl)C(=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl)C(=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H11Cl2F3N2O4/c23-13-6-12(7-14(24)9-13)18-5-4-16(33-18)10-17-19(22(25,26)27)28-29(20(17)30)15-3-1-2-11(8-15)21(31)32/h1-10H,(H,31,32)