5-ethyl-5-oxidanyl-7,8-dihydro-2H-isoquinoline-1,6-dione

Systemtic Name: 5-ethyl-5-oxidanyl-7,8-dihydro-2H-isoquinoline-1,6-dione Openeye Name: 5-ethyl-5-hydroxy-7,8-dihydro-2H-isoquinoline-1,6-dione CAS Name: 5-ethyl-5-hydroxy-7,8-dihydro-2H-isoquinoline-1,6-dione IUPAC Name: 5-ethyl-5-hydroxy-7,8-dihydro-2H-isoquinoline-1,6-dione Traditional Name: 5-ethyl-5-hydroxy-7,8-dihydro-2H-isoquinoline-1,6-quinone Formula: C11H13NO3 MolecularWeight: 207.22582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)CCC2=C1C=CNC2=O)O

Isomeric SMILES

CCC1(C(=O)CCC2=C1C=CNC2=O)O

InChI

InChI=1S/C11H13NO3/c1-2-11(15)8-5-6-12-10(14)7(8)3-4-9(11)13/h5-6,15H,2-4H2,1H3,(H,12,14)