(E)-2-(4-bromanyl-7-fluoranyl-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-7-fluoranyl-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-7-fluoro-3-phenyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-(4-bromo-7-fluoro-3-phenyl-2-isoquinolin-2-iumyl)-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-(4-bromo-7-fluoro-3-phenylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-(4-bromo-7-fluoro-3-phenyl-isoquinolin-2-ium-2-yl)-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C21H15BrFNO5 MolecularWeight: 460.249903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C(=O)OC)[N+]1=C(C(=C2C=CC(=CC2=C1)F)Br)C3=CC=CC=C3)[O-]

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=C(C(=C2C=CC(=CC2=C1)F)Br)C3=CC=CC=C3)/[O-]

InChI

InChI=1S/C21H15BrFNO5/c1-28-20(26)18(19(25)21(27)29-2)24-11-13-10-14(23)8-9-15(13)16(22)17(24)12-6-4-3-5-7-12/h3-11H,1-2H3