2-(2-methoxyphenyl)-2-oxidanyl-ethanenitrile; 8-oxabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 2-(2-methoxyphenyl)-2-oxidanyl-ethanenitrile; 8-oxabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 2-hydroxy-2-(2-methoxyphenyl)acetonitrile; 8-oxabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 2-hydroxy-2-(2-methoxyphenyl)acetonitrile; 8-oxabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 2-hydroxy-2-(2-methoxyphenyl)acetonitrile; 8-oxabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 2-hydroxy-2-(2-methoxyphenyl)acetonitrile; 8-oxabicyclo[2.2.2]octa-1,3,5-triene Formula: C16H15NO3 MolecularWeight: 269.2952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)O.C1C2=CC=C(O1)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(C#N)O.C1C2=CC=C(O1)C=C2

InChI

InChI=1S/C9H9NO2.C7H6O/c1-12-9-5-3-2-4-7(9)8(11)6-10;1-3-7-4-2-6(1)5-8-7/h2-5,8,11H,1H3;1-4H,5H2