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

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-4-methyl-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-3-keto-4-methyl-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C23H20BrNO5 MolecularWeight: 470.3126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=C(O3)C=CC(=C4)Br)O2)C[NH+]5CCOCC5)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=C(O3)C=CC(=C4)Br)/O2)C[NH+]5CCOCC5)[O-]

InChI

InChI=1S/C23H20BrNO5/c1-13-8-18(26)17(12-25-4-6-28-7-5-25)23-21(13)22(27)20(30-23)11-16-10-14-9-15(24)2-3-19(14)29-16/h2-3,8-11,26H,4-7,12H2,1H3/b20-11-