5-(cyanomethyl)-1H-imidazole-2-carboxylic acid

Systemtic Name: 5-(cyanomethyl)-1H-imidazole-2-carboxylic acid Openeye Name: 5-(cyanomethyl)-1H-imidazole-2-carboxylic acid CAS Name: 5-(cyanomethyl)-1H-imidazole-2-carboxylic acid IUPAC Name: 5-(cyanomethyl)-1H-imidazole-2-carboxylic acid Traditional Name: 5-(cyanomethyl)-1H-imidazole-2-carboxylic acid Formula: C6H5N3O2 MolecularWeight: 151.1228

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=N1)C(=O)O)CC#N

Isomeric SMILES

C1=C(NC(=N1)C(=O)O)CC#N

InChI

InChI=1S/C6H5N3O2/c7-2-1-4-3-8-5(9-4)6(10)11/h3H,1H2,(H,8,9)(H,10,11)