(5R)-5-ethyl-7-iodanyl-5-oxidanyl-8-prop-2-ynyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione

Systemtic Name: (5R)-5-ethyl-7-iodanyl-5-oxidanyl-8-prop-2-ynyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione Openeye Name: (5R)-5-ethyl-5-hydroxy-7-iodo-8-prop-2-ynyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione CAS Name: (5R)-5-ethyl-5-hydroxy-7-iodo-8-prop-2-ynyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione IUPAC Name: (5R)-5-ethyl-5-hydroxy-7-iodo-8-prop-2-ynyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione Traditional Name: (5R)-5-ethyl-5-hydroxy-7-iodo-8-propargyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-quinone Formula: C14H14INO4 MolecularWeight: 387.16973

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)OCC2=C1C=C(N(C2=O)CC#C)I)O

Isomeric SMILES

CC[C@]1(CC(=O)OCC2=C1C=C(N(C2=O)CC#C)I)O

InChI

InChI=1S/C14H14INO4/c1-3-5-16-11(15)6-10-9(13(16)18)8-20-12(17)7-14(10,19)4-2/h1,6,19H,4-5,7-8H2,2H3/t14-/m1/s1