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

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(dipropylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-7-[(dipropylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(dipropylammonio)methyl]-3-keto-coumaran-6-olate Formula: C24H24BrNO4 MolecularWeight: 470.35566

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC4=C(O3)C=CC(=C4)Br)/C2=O)[O-]

InChI

InChI=1S/C24H24BrNO4/c1-3-9-26(10-4-2)14-19-20(27)7-6-18-23(28)22(30-24(18)19)13-17-12-15-11-16(25)5-8-21(15)29-17/h5-8,11-13,27H,3-4,9-10,14H2,1-2H3/b22-13-