(E)-2-ethoxy-1-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)-2-oxidanyl-ethenediazonium

Systemtic Name: (E)-2-ethoxy-1-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)-2-oxidanyl-ethenediazonium Openeye Name: (E)-2-ethoxy-1-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)-2-hydroxy-ethenediazonium CAS Name: (E)-2-ethoxy-1-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)-2-hydroxyethenediazonium IUPAC Name: (E)-2-ethoxy-1-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)-2-hydroxyethenediazonium Traditional Name: (E)-1-(2-carbethoxy-5-nitro-1H-isoquinolin-1-yl)-2-ethoxy-2-hydroxy-ethenediazonium Formula: C16H17N4O6+ MolecularWeight: 361.32938

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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/p+1/b15-13+