2-(3-methylimidazol-4-yl)-3-(2-oxidanylideneethyl)benzenecarbonitrile

Systemtic Name: 2-(3-methylimidazol-4-yl)-3-(2-oxidanylideneethyl)benzenecarbonitrile Openeye Name: 2-(3-methylimidazol-4-yl)-3-(2-oxoethyl)benzonitrile CAS Name: 2-(3-methyl-4-imidazolyl)-3-(2-oxoethyl)benzonitrile IUPAC Name: 2-(3-methylimidazol-4-yl)-3-(2-oxoethyl)benzonitrile Traditional Name: 3-(2-ketoethyl)-2-(3-methylimidazol-4-yl)benzonitrile Formula: C13H11N3O MolecularWeight: 225.24594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=C(C=CC=C2CC=O)C#N

Isomeric SMILES

CN1C=NC=C1C2=C(C=CC=C2CC=O)C#N

InChI

InChI=1S/C13H11N3O/c1-16-9-15-8-12(16)13-10(5-6-17)3-2-4-11(13)7-14/h2-4,6,8-9H,5H2,1H3