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

Systemtic Name: (E)-2-(4-bromanyl-3-cyclopropyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate Openeye Name: (E)-2-(4-bromo-3-cyclopropyl-isoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-(4-bromo-3-cyclopropyl-2-isoquinolin-2-iumyl)-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-(4-bromo-3-cyclopropylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-(4-bromo-3-cyclopropyl-isoquinolin-2-ium-2-yl)-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C(=O)OC)[N+]1=CC2=CC=CC=C2C(=C1C3CC3)Br)[O-]

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=CC2=CC=CC=C2C(=C1C3CC3)Br)/[O-]

InChI

InChI=1S/C18H16BrNO5/c1-24-17(22)15(16(21)18(23)25-2)20-9-11-5-3-4-6-12(11)13(19)14(20)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3