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

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 4-methyl-5-pentyl-1,3-dioxane Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 4-methyl-5-pentyl-1,3-dioxane CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile; 4-methyl-5-pentyl-1,3-dioxane IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 4-methyl-5-pentyl-1,3-dioxane Traditional Name: 5-amyl-4-methyl-1,3-dioxane; bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COCOC1C.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCCCC1COCOC1C.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C10H20O2.C7H3N/c1-3-4-5-6-10-7-11-8-12-9(10)2;8-4-6-3-5-1-2-7(5)6/h9-10H,3-8H2,1-2H3;1-3H