1,4,5-tris(oxidanyl)-2H-isoquinolin-3-one

Systemtic Name: 1,4,5-tris(oxidanyl)-2H-isoquinolin-3-one Openeye Name: 1,4,5-trihydroxy-2H-isoquinolin-3-one CAS Name: 1,4,5-trihydroxy-2H-isoquinolin-3-one IUPAC Name: 1,4,5-trihydroxy-2H-isoquinolin-3-one Traditional Name: 1,4,5-trihydroxy-3-isoquinolone Formula: C9H7NO4 MolecularWeight: 193.15618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC(=O)C(=C2C(=C1)O)O)O

Isomeric SMILES

C1=CC2=C(NC(=O)C(=C2C(=C1)O)O)O

InChI

InChI=1S/C9H7NO4/c11-5-3-1-2-4-6(5)7(12)9(14)10-8(4)13/h1-3,11-12H,(H2,10,13,14)