2-(imidazol-1-ylmethyl)benzenecarbonitrile ethanoate

Systemtic Name: 2-(imidazol-1-ylmethyl)benzenecarbonitrile ethanoate Openeye Name: 2-(imidazol-1-ylmethyl)benzonitrile acetate CAS Name: 2-(1-imidazolylmethyl)benzonitrile acetate IUPAC Name: 2-(imidazol-1-ylmethyl)benzonitrile acetate Traditional Name: 2-(imidazol-1-ylmethyl)benzonitrile acetate Formula: C13H12N3O2- MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C(=C1)CN2C=CN=C2)C#N

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C(=C1)CN2C=CN=C2)C#N

InChI

InChI=1S/C11H9N3.C2H4O2/c12-7-10-3-1-2-4-11(10)8-14-6-5-13-9-14;1-2(3)4/h1-6,9H,8H2;1H3,(H,3,4)/p-1