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

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] furan-2-carboxylate Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C22H13BrO7 MolecularWeight: 469.23842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)Br)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=CO5)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)Br)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=CO5)OCO1

InChI

InChI=1S/C22H13BrO7/c23-14-6-12(21-13(7-14)10-26-11-28-21)8-19-20(24)16-4-3-15(9-18(16)30-19)29-22(25)17-2-1-5-27-17/h1-9H,10-11H2/b19-8-