3-[(4-cyanophenyl)methyl]imidazole-4-carboxylic acid

Systemtic Name: 3-[(4-cyanophenyl)methyl]imidazole-4-carboxylic acid Openeye Name: 3-[(4-cyanophenyl)methyl]imidazole-4-carboxylic acid CAS Name: 3-[(4-cyanophenyl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-[(4-cyanophenyl)methyl]imidazole-4-carboxylic acid Traditional Name: 3-(4-cyanobenzyl)imidazole-4-carboxylic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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