3-cyano-5-(imidazol-1-ylmethyl)benzoic acid

Systemtic Name: 3-cyano-5-(imidazol-1-ylmethyl)benzoic acid Openeye Name: 3-cyano-5-(imidazol-1-ylmethyl)benzoic acid CAS Name: 3-cyano-5-(1-imidazolylmethyl)benzoic acid IUPAC Name: 3-cyano-5-(imidazol-1-ylmethyl)benzoic acid Traditional Name: 3-cyano-5-(imidazol-1-ylmethyl)benzoic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC2=CC(=CC(=C2)C(=O)O)C#N

Isomeric SMILES

C1=CN(C=N1)CC2=CC(=CC(=C2)C(=O)O)C#N

InChI

InChI=1S/C12H9N3O2/c13-6-9-3-10(5-11(4-9)12(16)17)7-15-2-1-14-8-15/h1-5,8H,7H2,(H,16,17)