(E)-3-(benzimidazol-1-yl)-4-methyl-4-oxidanyl-pent-2-enenitrile

Systemtic Name: (E)-3-(benzimidazol-1-yl)-4-methyl-4-oxidanyl-pent-2-enenitrile Openeye Name: (E)-3-(benzimidazol-1-yl)-4-hydroxy-4-methyl-pent-2-enenitrile CAS Name: (E)-3-(1-benzimidazolyl)-4-hydroxy-4-methyl-2-pentenenitrile IUPAC Name: (E)-3-(benzimidazol-1-yl)-4-hydroxy-4-methylpent-2-enenitrile Traditional Name: (E)-3-(benzimidazol-1-yl)-4-hydroxy-4-methyl-pent-2-enenitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=CC#N)N1C=NC2=CC=CC=C21)O

Isomeric SMILES

CC(C)(/C(=C\C#N)/N1C=NC2=CC=CC=C21)O

InChI

InChI=1S/C13H13N3O/c1-13(2,17)12(7-8-14)16-9-15-10-5-3-4-6-11(10)16/h3-7,9,17H,1-2H3/b12-7+