(E)-2-(4-bromanyl-3-phenyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate

Systemtic Name: (E)-2-(4-bromanyl-3-phenyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate Openeye Name: (E)-2-(4-bromo-3-phenyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-(4-bromo-3-phenyl-2-isoquinolin-2-iumyl)-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-(4-bromo-3-phenylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-(4-bromo-3-phenyl-isoquinolin-2-ium-2-yl)-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C21H16BrNO5 MolecularWeight: 442.25944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C(=O)OC)[N+]1=CC2=CC=CC=C2C(=C1C3=CC=CC=C3)Br)[O-]

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=CC2=CC=CC=C2C(=C1C3=CC=CC=C3)Br)/[O-]

InChI

InChI=1S/C21H16BrNO5/c1-27-20(25)18(19(24)21(26)28-2)23-12-14-10-6-7-11-15(14)16(22)17(23)13-8-4-3-5-9-13/h3-12H,1-2H3