3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazole-4-carboxylic acid

Systemtic Name: 3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazole-4-carboxylic acid Openeye Name: 3-[(4-cyano-3-fluoro-phenyl)methyl]imidazole-4-carboxylic acid CAS Name: 3-[(4-cyano-3-fluorophenyl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-[(4-cyano-3-fluorophenyl)methyl]imidazole-4-carboxylic acid Traditional Name: 3-(4-cyano-3-fluoro-benzyl)imidazole-4-carboxylic acid Formula: C12H8FN3O2 MolecularWeight: 245.209223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC=C2C(=O)O)F)C#N

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC=C2C(=O)O)F)C#N

InChI

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