(E)-2-(5-bromanyl-2-ethoxycarbonyl-1H-isoquinolin-1-yl)-2-diazonio-1-ethoxy-ethenolate

Systemtic Name: (E)-2-(5-bromanyl-2-ethoxycarbonyl-1H-isoquinolin-1-yl)-2-diazonio-1-ethoxy-ethenolate Openeye Name: (E)-2-(5-bromo-2-ethoxycarbonyl-1H-isoquinolin-1-yl)-2-diazonio-1-ethoxy-ethenolate CAS Name: (E)-2-(5-bromo-2-ethoxycarbonyl-1H-isoquinolin-1-yl)-2-diazonio-1-ethoxyethenolate IUPAC Name: (E)-2-(5-bromo-2-ethoxycarbonyl-1H-isoquinolin-1-yl)-2-diazonio-1-ethoxyethenolate Traditional Name: (E)-2-(5-bromo-2-carbethoxy-1H-isoquinolin-1-yl)-2-diazonio-1-ethoxy-ethenolate Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1C2=C(C=CN1C(=O)OCC)C(=CC=C2)Br)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(\C1C2=C(C=CN1C(=O)OCC)C(=CC=C2)Br)/[N+]#N)/[O-]

InChI

InChI=1S/C16H16BrN3O4/c1-3-23-15(21)13(19-18)14-11-6-5-7-12(17)10(11)8-9-20(14)16(22)24-4-2/h5-9,14H,3-4H2,1-2H3/b15-13+