(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-7-[(dibutylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(dibutylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(dibutylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(5-bromo-2-methoxy-benzylidene)-7-[(dibutylammonio)methyl]-3-keto-coumaran-6-olate Formula: C25H30BrNO4 MolecularWeight: 488.414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=C(C=CC(=C3)Br)OC)C2=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrNO4/c1-4-6-12-27(13-7-5-2)16-20-21(28)10-9-19-24(29)23(31-25(19)20)15-17-14-18(26)8-11-22(17)30-3/h8-11,14-15,28H,4-7,12-13,16H2,1-3H3/b23-15-