2-chloranyl-5-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid Openeye Name: 2-chloro-5-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid CAS Name: 2-chloro-5-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 2-chloro-5-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-keto-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzoic acid Formula: C11H6ClF3N2O3 MolecularWeight: 306.62515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C=C(N2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C=C(N2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C11H6ClF3N2O3/c12-7-2-1-5(3-6(7)10(19)20)17-9(18)4-8(16-17)11(13,14)15/h1-4,16H,(H,19,20)