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

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclopropanecarboxylate Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic 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] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C21H15BrO6 MolecularWeight: 443.2442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Br)O3

Isomeric SMILES

C1CC1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC5=C4OCOC5)Br)/O3

InChI

InChI=1S/C21H15BrO6/c22-14-5-12(20-13(6-14)9-25-10-26-20)7-18-19(23)16-4-3-15(8-17(16)28-18)27-21(24)11-1-2-11/h3-8,11H,1-2,9-10H2/b18-7-