(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C22H18BrNO4 MolecularWeight: 440.28662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)[O-]

InChI

InChI=1S/C22H18BrNO4/c23-14-3-6-19-13(9-14)10-15(27-19)11-20-21(26)16-4-5-18(25)17(22(16)28-20)12-24-7-1-2-8-24/h3-6,9-11,25H,1-2,7-8,12H2/b20-11-