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

Systemtic Name: butan-2-yl ethanoate; 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 acetate CAS Name: acetic 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 acetate; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Traditional Name: acetic acid sec-butyl ester; 2-keto-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H3NO2.C6H12O2/c9-4-6-3-5-1-2-7(6)11-8(5)10;1-4-5(2)8-6(3)7/h1-3H;5H,4H2,1-3H3