[(2Z)-2-[(3-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-diethyl-azanium

Systemtic Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-diethyl-azanium Openeye Name: [(2Z)-2-[(3-bromophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-diethyl-ammonium CAS Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-diethylammonium IUPAC Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-diethylazanium Traditional Name: [(2Z)-2-(3-bromobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-diethyl-ammonium Formula: C20H21BrNO3+ MolecularWeight: 403.28964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC=C3)Br)C2=O)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1O/C(=C\C3=CC(=CC=C3)Br)/C2=O)O

InChI

InChI=1S/C20H20BrNO3/c1-3-22(4-2)12-16-17(23)9-8-15-19(24)18(25-20(15)16)11-13-6-5-7-14(21)10-13/h5-11,23H,3-4,12H2,1-2H3/p+1/b18-11-