ethyl 6-cyano-2,5-dimethyl-9-nitro-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate

Systemtic Name: ethyl 6-cyano-2,5-dimethyl-9-nitro-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Openeye Name: ethyl 6-cyano-2,5-dimethyl-9-nitro-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate CAS Name: 6-cyano-2,5-dimethyl-9-nitro-3-pyrazolo[1,2-a]cinnolin-11-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-2,5-dimethyl-9-nitropyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Traditional Name: 6-cyano-2,5-dimethyl-9-nitro-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylic acid ethyl ester Formula: C17H15N4O4+ MolecularWeight: 339.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=[N+]2N1C(=C(C3=C2C=C(C=C3)[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=[N+]2N1C(=C(C3=C2C=C(C=C3)[N+](=O)[O-])C#N)C)C

InChI

InChI=1S/C17H15N4O4/c1-4-25-17(22)16-10(2)9-19-15-7-12(21(23)24)5-6-13(15)14(8-18)11(3)20(16)19/h5-7,9H,4H2,1-3H3/q+1