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

Systemtic Name: (2Z)-2-[(3-bromophenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3-bromophenyl)methylene]-7-[(dipropylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3-bromophenyl)methylidene]-7-[(dipropylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-bromophenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(3-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=C3)Br)C2=O)[O-]

Isomeric SMILES

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

InChI

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