2-[(1S,2R,5S)-5-methoxy-3-oxidanylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(1S,2R,5S)-5-methoxy-3-oxidanylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S,2R,5S)-5-methoxy-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindoline-1,3-dione CAS Name: 2-[(1S,2R,5S)-5-methoxy-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(1S,2R,5S)-5-methoxy-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S,2R,5S)-3-keto-5-methoxy-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindoline-1,3-quinone Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

COC12CC(=O)C(C(O1)C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CO[C@@]12CC(=O)[C@@H]([C@@H](O1)C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H13NO5/c1-21-16-7-6-12(22-16)13(11(18)8-16)17-14(19)9-4-2-3-5-10(9)15(17)20/h2-7,12-13H,8H2,1H3/t12-,13-,16+/m0/s1