(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(5-bromo-2-methoxy-benzylidene)-3-keto-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCOCC4

InChI

InChI=1S/C21H20BrNO5/c1-26-18-5-2-14(22)10-13(18)11-19-20(25)15-3-4-17(24)16(21(15)28-19)12-23-6-8-27-9-7-23/h2-5,10-11,24H,6-9,12H2,1H3/b19-11-