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

Systemtic Name: butan-2-yl propanoate; 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 propanoate CAS Name: 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile; propanoic acid butan-2-yl ester IUPAC Name: butan-2-yl propanoate; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Traditional Name: 2-keto-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile; propionic acid sec-butyl ester Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H3NO2.C7H14O2/c9-4-6-3-5-1-2-7(6)11-8(5)10;1-4-6(3)9-7(8)5-2/h1-3H;6H,4-5H2,1-3H3