(2Z)-2-[(4-bromophenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-bromophenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-bromophenyl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-bromobenzylidene)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)Br)C3=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO3/c21-14-5-3-13(4-6-14)11-18-19(24)15-7-8-17(23)16(20(15)25-18)12-22-9-1-2-10-22/h3-8,11,23H,1-2,9-10,12H2/b18-11-