4,4,5-trimethyl-5-oxidanyl-1,8-dihydrooxepino[3,4-c]pyridine-3,9-dione

Systemtic Name: 4,4,5-trimethyl-5-oxidanyl-1,8-dihydrooxepino[3,4-c]pyridine-3,9-dione Openeye Name: 5-hydroxy-4,4,5-trimethyl-1,8-dihydrooxepino[3,4-c]pyridine-3,9-dione CAS Name: 5-hydroxy-4,4,5-trimethyl-1,8-dihydrooxepino[3,4-c]pyridine-3,9-dione IUPAC Name: 5-hydroxy-4,4,5-trimethyl-1,8-dihydrooxepino[3,4-c]pyridine-3,9-dione Traditional Name: 5-hydroxy-4,4,5-trimethyl-1,8-dihydrooxepino[3,4-c]pyridine-3,9-quinone Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)OCC2=C(C1(C)O)C=CNC2=O)C

Isomeric SMILES

CC1(C(=O)OCC2=C(C1(C)O)C=CNC2=O)C

InChI

InChI=1S/C12H15NO4/c1-11(2)10(15)17-6-7-8(12(11,3)16)4-5-13-9(7)14/h4-5,16H,6H2,1-3H3,(H,13,14)