2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-pyrazole-3-carboxylate

Systemtic Name: 2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-pyrazole-3-carboxylate Openeye Name: 2-(3-cyano-4-fluoro-phenyl)-5-methyl-pyrazole-3-carboxylate CAS Name: 2-(3-cyano-4-fluorophenyl)-5-methyl-3-pyrazolecarboxylate IUPAC Name: 2-(3-cyano-4-fluorophenyl)-5-methylpyrazole-3-carboxylate Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-5-methyl-pyrazole-3-carboxylate Formula: C12H7FN3O2- MolecularWeight: 244.201283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)[O-])C2=CC(=C(C=C2)F)C#N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)[O-])C2=CC(=C(C=C2)F)C#N

InChI

InChI=1S/C12H8FN3O2/c1-7-4-11(12(17)18)16(15-7)9-2-3-10(13)8(5-9)6-14/h2-5H,1H3,(H,17,18)/p-1