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

Systemtic Name: butan-2-yl pentanoate; 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 pentanoate CAS Name: 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile; pentanoic acid butan-2-yl ester IUPAC Name: butan-2-yl pentanoate; 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; valeric acid sec-butyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O2.C8H3NO2/c1-4-6-7-9(10)11-8(3)5-2;9-4-6-3-5-1-2-7(6)11-8(5)10/h8H,4-7H2,1-3H3;1-3H