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

Systemtic Name: (2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-7-[(dipropylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(dipropylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(5-bromo-2-methoxy-benzylidene)-7-[(dipropylammonio)methyl]-3-keto-coumaran-6-olate Formula: C23H26BrNO4 MolecularWeight: 460.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO4/c1-4-10-25(11-5-2)14-18-19(26)8-7-17-22(27)21(29-23(17)18)13-15-12-16(24)6-9-20(15)28-3/h6-9,12-13,26H,4-5,10-11,14H2,1-3H3/b21-13-