(8R,8aS,10aS)-2-bromanyl-8-methoxy-9-oxidanylidene-8,10a-dihydro-5H-xanthene-8a-carbonitrile

Systemtic Name: (8R,8aS,10aS)-2-bromanyl-8-methoxy-9-oxidanylidene-8,10a-dihydro-5H-xanthene-8a-carbonitrile Openeye Name: (8R,8aS,10aS)-2-bromo-8-methoxy-9-oxo-8,10a-dihydro-5H-xanthene-8a-carbonitrile CAS Name: (8R,8aS,10aS)-2-bromo-8-methoxy-9-oxo-8,10a-dihydro-5H-xanthene-8a-carbonitrile IUPAC Name: (8R,8aS,10aS)-2-bromo-8-methoxy-9-oxo-8,10a-dihydro-5H-xanthene-8a-carbonitrile Traditional Name: (8R,8aS,10aS)-2-bromo-9-keto-8-methoxy-8,10a-dihydro-5H-xanthene-8a-carbonitrile Formula: C15H12BrNO3 MolecularWeight: 334.16468

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CCC2C1(C(=O)C3=C(O2)C=CC(=C3)Br)C#N

Isomeric SMILES

CO[C@@H]1C=CC[C@H]2[C@@]1(C(=O)C3=C(O2)C=CC(=C3)Br)C#N

InChI

InChI=1S/C15H12BrNO3/c1-19-12-3-2-4-13-15(12,8-17)14(18)10-7-9(16)5-6-11(10)20-13/h2-3,5-7,12-13H,4H2,1H3/t12-,13+,15-/m1/s1