4-[[5-(2-oxidanylideneethyl)imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-oxidanylideneethyl)imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-oxoethyl)imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-(2-oxoethyl)-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-(2-oxoethyl)imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-(2-ketoethyl)imidazol-1-yl]methyl]benzonitrile Formula: C13H11N3O MolecularWeight: 225.24594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=C2CC=O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=C2CC=O)C#N

InChI

InChI=1S/C13H11N3O/c14-7-11-1-3-12(4-2-11)9-16-10-15-8-13(16)5-6-17/h1-4,6,8,10H,5,9H2