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

Systemtic Name: (2Z)-2-[(3-bromophenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3-bromophenyl)methylene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3-bromophenyl)methylidene]-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-bromophenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(3-bromobenzylidene)-3-keto-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)Br)C3=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)Br)/C3=O)[O-]

InChI

InChI=1S/C20H18BrNO4/c21-14-3-1-2-13(10-14)11-18-19(24)15-4-5-17(23)16(20(15)26-18)12-22-6-8-25-9-7-22/h1-5,10-11,23H,6-9,12H2/b18-11-