1-[(4-cyano-2-fluoranyl-phenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(4-cyano-2-fluoranyl-phenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(4-cyano-2-fluoro-phenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(4-cyano-2-fluorophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(4-cyano-2-fluorophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyano-2-fluoro-benzyl)pyrazole-4-carboxylic acid Formula: C12H8FN3O2 MolecularWeight: 245.209223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C12H8FN3O2/c13-11-3-8(4-14)1-2-9(11)6-16-7-10(5-15-16)12(17)18/h1-3,5,7H,6H2,(H,17,18)