1-[(5-cyano-2-fluoranyl-phenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(5-cyano-2-fluoranyl-phenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(5-cyano-2-fluoro-phenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(5-cyano-2-fluorophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(5-cyano-2-fluorophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(5-cyano-2-fluoro-benzyl)pyrazole-4-carboxylic acid Formula: C12H8FN3O2 MolecularWeight: 245.209223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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