isoquinolin-5-yl 2-oxidanylidenebutanoate

Systemtic Name: isoquinolin-5-yl 2-oxidanylidenebutanoate Openeye Name: 5-isoquinolyl 2-oxobutanoate CAS Name: 2-oxobutanoic acid 5-isoquinolinyl ester IUPAC Name: isoquinolin-5-yl 2-oxobutanoate Traditional Name: 2-ketobutyric acid 5-isoquinolyl ester Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)OC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCC(=O)C(=O)OC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C13H11NO3/c1-2-11(15)13(16)17-12-5-3-4-9-8-14-7-6-10(9)12/h3-8H,2H2,1H3