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

Systemtic Name: (E)-2-diazonio-1-ethoxy-2-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)ethenolate Openeye Name: (E)-2-diazonio-1-ethoxy-2-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)ethenolate CAS Name: (E)-2-diazonio-1-ethoxy-2-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)ethenolate IUPAC Name: (E)-2-diazonio-1-ethoxy-2-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)ethenolate Traditional Name: (E)-2-(2-carbethoxy-5-nitro-1H-isoquinolin-1-yl)-2-diazonio-1-ethoxy-ethenolate Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6/c1-3-25-15(21)13(18-17)14-11-6-5-7-12(20(23)24)10(11)8-9-19(14)16(22)26-4-2/h5-9,14H,3-4H2,1-2H3/b15-13+