tert-butyl 2-[[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate

Systemtic Name: tert-butyl 2-[[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate Openeye Name: tert-butyl 2-[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate CAS Name: 2-[[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate Traditional Name: 2-[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl]oxyacetic acid tert-butyl ester Formula: C23H21BrO7 MolecularWeight: 489.31264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Br)O2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC4=C3OCOC4)Br)/O2

InChI

InChI=1S/C23H21BrO7/c1-23(2,3)31-20(25)11-28-16-4-5-17-18(9-16)30-19(21(17)26)8-13-6-15(24)7-14-10-27-12-29-22(13)14/h4-9H,10-12H2,1-3H3/b19-8-