[6-methyl-5-oxidanyl-7,8-bis(oxidanylidene)isoquinolin-1-yl]methyl ethanoate

Systemtic Name: [6-methyl-5-oxidanyl-7,8-bis(oxidanylidene)isoquinolin-1-yl]methyl ethanoate Openeye Name: (5-hydroxy-6-methyl-7,8-dioxo-1-isoquinolyl)methyl acetate CAS Name: acetic acid (5-hydroxy-6-methyl-7,8-dioxo-1-isoquinolinyl)methyl ester IUPAC Name: (5-hydroxy-6-methyl-7,8-dioxoisoquinolin-1-yl)methyl acetate Traditional Name: acetic acid (5-hydroxy-7,8-diketo-6-methyl-1-isoquinolyl)methyl ester Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=NC=C2)COC(=O)C)C(=O)C1=O)O

Isomeric SMILES

CC1=C(C2=C(C(=NC=C2)COC(=O)C)C(=O)C1=O)O

InChI

InChI=1S/C13H11NO5/c1-6-11(16)8-3-4-14-9(5-19-7(2)15)10(8)13(18)12(6)17/h3-4,16H,5H2,1-2H3