ethyl 4-[6,7-bis(oxidanyl)-1-oxidanylidene-isoquinolin-2-yl]butanoate

Systemtic Name: ethyl 4-[6,7-bis(oxidanyl)-1-oxidanylidene-isoquinolin-2-yl]butanoate Openeye Name: ethyl 4-(6,7-dihydroxy-1-oxo-2-isoquinolyl)butanoate CAS Name: 4-(6,7-dihydroxy-1-oxo-2-isoquinolinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(6,7-dihydroxy-1-oxoisoquinolin-2-yl)butanoate Traditional Name: 4-(6,7-dihydroxy-1-keto-2-isoquinolyl)butyric acid ethyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=CC2=CC(=C(C=C2C1=O)O)O

Isomeric SMILES

CCOC(=O)CCCN1C=CC2=CC(=C(C=C2C1=O)O)O

InChI

InChI=1S/C15H17NO5/c1-2-21-14(19)4-3-6-16-7-5-10-8-12(17)13(18)9-11(10)15(16)20/h5,7-9,17-18H,2-4,6H2,1H3