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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)CC2=C1C=CNC2=O)O

Isomeric SMILES

CCC1(CC(=O)CC2=C1C=CNC2=O)O

InChI

InChI=1S/C11H13NO3/c1-2-11(15)6-7(13)5-8-9(11)3-4-12-10(8)14/h3-4,15H,2,5-6H2,1H3,(H,12,14)