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

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylpropanoate Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C21H17BrO6 MolecularWeight: 445.26008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Br)O2

Isomeric SMILES

CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC4=C3OCOC4)Br)/O2

InChI

InChI=1S/C21H17BrO6/c1-11(2)21(24)27-15-3-4-16-17(8-15)28-18(19(16)23)7-12-5-14(22)6-13-9-25-10-26-20(12)13/h3-8,11H,9-10H2,1-2H3/b18-7-