2-[(1S,2R,4S,5S)-4-bromanyl-5-tert-butyl-3-oxidanylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(1S,2R,4S,5S)-4-bromanyl-5-tert-butyl-3-oxidanylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S,2R,4S,5S)-4-bromo-5-tert-butyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindoline-1,3-dione CAS Name: 2-[(1S,2R,4S,5S)-4-bromo-5-tert-butyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(1S,2R,4S,5S)-4-bromo-5-tert-butyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S,2R,4S,5S)-4-bromo-5-tert-butyl-3-keto-8-oxabicyclo[3.2.1]oct-6-en-2-yl]isoindoline-1,3-quinone Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C12C=CC(O1)C(C(=O)C2Br)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)[C@]12C=C[C@H](O1)[C@H](C(=O)[C@H]2Br)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H18BrNO4/c1-18(2,3)19-9-8-12(25-19)13(14(22)15(19)20)21-16(23)10-6-4-5-7-11(10)17(21)24/h4-9,12-13,15H,1-3H3/t12-,13+,15+,19+/m0/s1