4-[1-(3-methylimidazol-4-yl)-1,2-bis(oxidanyl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-(3-methylimidazol-4-yl)-1,2-bis(oxidanyl)ethyl]benzenecarbonitrile Openeye Name: 4-[1,2-dihydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile CAS Name: 4-[1,2-dihydroxy-1-(3-methyl-4-imidazolyl)ethyl]benzonitrile IUPAC Name: 4-[1,2-dihydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Traditional Name: 4-[1,2-dihydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(CO)(C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CN1C=NC=C1C(CO)(C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C13H13N3O2/c1-16-9-15-7-12(16)13(18,8-17)11-4-2-10(6-14)3-5-11/h2-5,7,9,17-18H,8H2,1H3