5-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[2-chloro-5-(trifluoromethyl)anilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H9ClF3N3O3 MolecularWeight: 347.67707

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C13H9ClF3N3O3/c1-20-10(7(5-18-20)12(22)23)11(21)19-9-4-6(13(15,16)17)2-3-8(9)14/h2-5H,1H3,(H,19,21)(H,22,23)