5-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(3-chloro-4-fluoroanilino)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H9ClFN3O3 MolecularWeight: 297.669563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClFN3O3/c1-17-10(7(5-15-17)12(19)20)11(18)16-6-2-3-9(14)8(13)4-6/h2-5H,1H3,(H,16,18)(H,19,20)