8-but-2-ynyl-4,4,5-trimethyl-5-oxidanyl-1H-oxepino[3,4-c]pyridine-3,9-dione

Systemtic Name: 8-but-2-ynyl-4,4,5-trimethyl-5-oxidanyl-1H-oxepino[3,4-c]pyridine-3,9-dione Openeye Name: 8-but-2-ynyl-5-hydroxy-4,4,5-trimethyl-1H-oxepino[3,4-c]pyridine-3,9-dione CAS Name: 8-but-2-ynyl-5-hydroxy-4,4,5-trimethyl-1H-oxepino[3,4-c]pyridine-3,9-dione IUPAC Name: 8-but-2-ynyl-5-hydroxy-4,4,5-trimethyl-1H-oxepino[3,4-c]pyridine-3,9-dione Traditional Name: 8-but-2-ynyl-5-hydroxy-4,4,5-trimethyl-1H-oxepino[3,4-c]pyridine-3,9-quinone Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C=CC2=C(C1=O)COC(=O)C(C2(C)O)(C)C

Isomeric SMILES

CC#CCN1C=CC2=C(C1=O)COC(=O)C(C2(C)O)(C)C

InChI

InChI=1S/C16H19NO4/c1-5-6-8-17-9-7-12-11(13(17)18)10-21-14(19)15(2,3)16(12,4)20/h7,9,20H,8,10H2,1-4H3