5-[[2,6-bis(bromanyl)-4-fluoranyl-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[2,6-bis(bromanyl)-4-fluoranyl-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(2,6-dibromo-4-fluoro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2,6-dibromo-4-fluoroanilino)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(2,6-dibromo-4-fluorophenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(2,6-dibromo-4-fluoro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H8Br2FN3O3 MolecularWeight: 421.016623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=C(C=C(C=C2Br)F)Br

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=C(C=C(C=C2Br)F)Br

InChI

InChI=1S/C12H8Br2FN3O3/c1-18-10(6(4-16-18)12(20)21)11(19)17-9-7(13)2-5(15)3-8(9)14/h2-4H,1H3,(H,17,19)(H,20,21)