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

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-pentyl-1,4-dioxane Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-pentyl-1,4-dioxane CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile; 2-pentyl-1,4-dioxane IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-pentyl-1,4-dioxane Traditional Name: 2-amyl-1,4-dioxane; bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COCCO1.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCCCC1COCCO1.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C9H18O2.C7H3N/c1-2-3-4-5-9-8-10-6-7-11-9;8-4-6-3-5-1-2-7(5)6/h9H,2-8H2,1H3;1-3H