bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-1,3-dioxane

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-1,3-dioxane Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-1,3-dioxane CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile; 5-ethyl-1,3-dioxane IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-1,3-dioxane Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-1,3-dioxane Formula: C13H15NO2 MolecularWeight: 217.2637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1COCOC1.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCC1COCOC1.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C7H3N.C6H12O2/c8-4-6-3-5-1-2-7(5)6;1-2-6-3-7-5-8-4-6/h1-3H;6H,2-5H2,1H3