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

Systemtic Name: ethyl 2-[[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H17BrO7 MolecularWeight: 461.25948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrO7/c1-2-26-19(23)10-27-15-3-4-16-17(8-15)29-18(20(16)24)7-12-5-14(22)6-13-9-25-11-28-21(12)13/h3-8H,2,9-11H2,1H3/b18-7-