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

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-4-methyl-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-3-keto-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H20BrNO4 MolecularWeight: 454.3132

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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+]5CCCC5)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=C(O3)C=CC(=C4)Br)/O2)C[NH+]5CCCC5)[O-]

InChI

InChI=1S/C23H20BrNO4/c1-13-8-18(26)17(12-25-6-2-3-7-25)23-21(13)22(27)20(29-23)11-16-10-14-9-15(24)4-5-19(14)28-16/h4-5,8-11,26H,2-3,6-7,12H2,1H3/b20-11-