3-(3-fluoranyl-4-methoxy-phenyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C12H11FN2O3 MolecularWeight: 250.225743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=C(C=C2)OC)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=C(C=C2)OC)F)C(=O)O

InChI

InChI=1S/C12H11FN2O3/c1-15-6-8(12(16)17)11(14-15)7-3-4-10(18-2)9(13)5-7/h3-6H,1-2H3,(H,16,17)