3,4-dimethyl-2-oxidanyl-isoquinolin-1-one ethanoate

Systemtic Name: 3,4-dimethyl-2-oxidanyl-isoquinolin-1-one ethanoate Openeye Name: 2-hydroxy-3,4-dimethyl-isoquinolin-1-one acetate CAS Name: 2-hydroxy-3,4-dimethyl-1-isoquinolinone acetate IUPAC Name: 2-hydroxy-3,4-dimethylisoquinolin-1-one acetate Traditional Name: 2-hydroxy-3,4-dimethyl-isocarbostyril acetate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)C2=CC=CC=C12)O)C.CC(=O)[O-]

Isomeric SMILES

CC1=C(N(C(=O)C2=CC=CC=C12)O)C.CC(=O)[O-]

InChI

InChI=1S/C11H11NO2.C2H4O2/c1-7-8(2)12(14)11(13)10-6-4-3-5-9(7)10;1-2(3)4/h3-6,14H,1-2H3;1H3,(H,3,4)/p-1