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

Systemtic Name: (2Z)-2-[(2-bromophenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2-bromophenyl)methylene]-7-[(dipropylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2-bromophenyl)methylidene]-7-[(dipropylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-bromophenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2-bromobenzylidene)-7-[(dipropylammonio)methyl]-3-keto-coumaran-6-olate Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3Br)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3Br)/C2=O)[O-]

InChI

InChI=1S/C22H24BrNO3/c1-3-11-24(12-4-2)14-17-19(25)10-9-16-21(26)20(27-22(16)17)13-15-7-5-6-8-18(15)23/h5-10,13,25H,3-4,11-12,14H2,1-2H3/b20-13-