5-[2,3-bis(oxidanyl)propoxy]-2H-isoquinolin-1-one

Systemtic Name: 5-[2,3-bis(oxidanyl)propoxy]-2H-isoquinolin-1-one Openeye Name: 5-(2,3-dihydroxypropoxy)-2H-isoquinolin-1-one CAS Name: 5-(2,3-dihydroxypropoxy)-2H-isoquinolin-1-one IUPAC Name: 5-(2,3-dihydroxypropoxy)-2H-isoquinolin-1-one Traditional Name: 5-glyceryloxyisocarbostyril Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CNC2=O)C(=C1)OCC(CO)O

Isomeric SMILES

C1=CC2=C(C=CNC2=O)C(=C1)OCC(CO)O

InChI

InChI=1S/C12H13NO4/c14-6-8(15)7-17-11-3-1-2-10-9(11)4-5-13-12(10)16/h1-5,8,14-15H,6-7H2,(H,13,16)