(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-7-[(diethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(diethylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-7-[(diethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C22H22BrNO5 MolecularWeight: 460.31778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC4=C3OCOC4)Br)C2=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1O/C(=C\C3=CC(=CC4=C3OCOC4)Br)/C2=O)[O-]

InChI

InChI=1S/C22H22BrNO5/c1-3-24(4-2)10-17-18(25)6-5-16-20(26)19(29-22(16)17)9-13-7-15(23)8-14-11-27-12-28-21(13)14/h5-9,25H,3-4,10-12H2,1-2H3/b19-9-