butan-2-yl butanoate; 2-oxidanylidene-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile

Systemtic Name: butan-2-yl butanoate; 2-oxidanylidene-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Openeye Name: 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile; sec-butyl butanoate CAS Name: butanoic acid butan-2-yl ester; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile IUPAC Name: butan-2-yl butanoate; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Traditional Name: butyric acid sec-butyl ester; 2-keto-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)CC.C1=CC2=C(C=C1C(=O)O2)C#N

Isomeric SMILES

CCCC(=O)OC(C)CC.C1=CC2=C(C=C1C(=O)O2)C#N

InChI

InChI=1S/C8H3NO2.C8H16O2/c9-4-6-3-5-1-2-7(6)11-8(5)10;1-4-6-8(9)10-7(3)5-2/h1-3H;7H,4-6H2,1-3H3