5-(2-cyano-3-fluoranyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2-cyano-3-fluoranyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-(2-cyano-3-fluoro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-(2-cyano-3-fluorophenoxy)-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(2-cyano-3-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-(2-cyano-3-fluoro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C13H10FN3O3 MolecularWeight: 275.235203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OC2=C(C(=CC=C2)F)C#N)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OC2=C(C(=CC=C2)F)C#N)C

InChI

InChI=1S/C13H10FN3O3/c1-7-11(13(18)19)12(17(2)16-7)20-10-5-3-4-9(14)8(10)6-15/h3-5H,1-2H3,(H,18,19)