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

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-3-keto-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C22H18BrNO5 MolecularWeight: 456.28602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)[O-]

InChI

InChI=1S/C22H18BrNO5/c23-14-1-4-19-13(9-14)10-15(28-19)11-20-21(26)16-2-3-18(25)17(22(16)29-20)12-24-5-7-27-8-6-24/h1-4,9-11,25H,5-8,12H2/b20-11-