ethyl 2-(cyanomethyl)-1H-benzimidazole-4-carboxylate

Systemtic Name: ethyl 2-(cyanomethyl)-1H-benzimidazole-4-carboxylate Openeye Name: ethyl 2-(cyanomethyl)-1H-benzimidazole-4-carboxylate CAS Name: 2-(cyanomethyl)-1H-benzimidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethyl)-1H-benzimidazole-4-carboxylate Traditional Name: 2-(cyanomethyl)-1H-benzimidazole-4-carboxylic acid ethyl ester Formula: C12H11N3O2 MolecularWeight: 229.23464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)NC(=N2)CC#N

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)NC(=N2)CC#N

InChI

InChI=1S/C12H11N3O2/c1-2-17-12(16)8-4-3-5-9-11(8)15-10(14-9)6-7-13/h3-5H,2,6H2,1H3,(H,14,15)