2-chloranyl-4-fluoranyl-5-[4-methanoyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[4-methanoyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[4-formyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid CAS Name: 2-chloro-4-fluoro-5-[4-formyl-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[4-formyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid Traditional Name: 2-chloro-4-fluoro-5-[4-formyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid Formula: C13H7ClF4N2O3 MolecularWeight: 350.652893

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)C=O)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)C=O)C(F)(F)F

InChI

InChI=1S/C13H7ClF4N2O3/c1-20-11(13(16,17)18)7(4-21)10(19-20)6-2-5(12(22)23)8(14)3-9(6)15/h2-4H,1H3,(H,22,23)