(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[(dipropylazaniumyl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[(dipropylazaniumyl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(dipropylammonio)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-7-[(dipropylammonio)methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(dipropylazaniumyl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(dipropylammonio)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C25H26BrNO4 MolecularWeight: 484.38224

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=C(C2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)C)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=C(C2=C1O/C(=C\C3=CC4=C(O3)C=CC(=C4)Br)/C2=O)C)[O-]

InChI

InChI=1S/C25H26BrNO4/c1-4-8-27(9-5-2)14-19-20(28)10-15(3)23-24(29)22(31-25(19)23)13-18-12-16-11-17(26)6-7-21(16)30-18/h6-7,10-13,28H,4-5,8-9,14H2,1-3H3/b22-13-