5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C16H13ClFN5O3 MolecularWeight: 377.757523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H13ClFN5O3/c1-22-14(9(7-19-22)16(25)26)15(24)20-13-5-6-23(21-13)8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3,(H,25,26)(H,20,21,24)