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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COCOC1C.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCCC1COCOC1C.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C9H18O2.C7H3N/c1-3-4-5-9-6-10-7-11-8(9)2;8-4-6-3-5-1-2-7(5)6/h8-9H,3-7H2,1-2H3;1-3H