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

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-4-methyl-1,3-dioxane Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-4-methyl-1,3-dioxane CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile; 5-ethyl-4-methyl-1,3-dioxane IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-4-methyl-1,3-dioxane Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 5-ethyl-4-methyl-1,3-dioxane Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COCOC1C.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCC1COCOC1C.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C7H3N.C7H14O2/c8-4-6-3-5-1-2-7(5)6;1-3-7-4-8-5-9-6(7)2/h1-3H;6-7H,3-5H2,1-2H3