2-(4-cyanophenyl)-2-(3-methylimidazol-4-yl)ethaneperoxoic acid

Systemtic Name: 2-(4-cyanophenyl)-2-(3-methylimidazol-4-yl)ethaneperoxoic acid Openeye Name: 2-(4-cyanophenyl)-2-(3-methylimidazol-4-yl)peroxyacetic acid CAS Name: 2-(4-cyanophenyl)-2-(3-methyl-4-imidazolyl)ethaneperoxoic acid IUPAC Name: 2-(4-cyanophenyl)-2-(3-methylimidazol-4-yl)ethaneperoxoic acid Traditional Name: 2-(4-cyanophenyl)-2-(3-methylimidazol-4-yl)peracetic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3/c1-16-8-15-7-11(16)12(13(17)19-18)10-4-2-9(6-14)3-5-10/h2-5,7-8,12,18H,1H3