ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate

Systemtic Name: ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Openeye Name: ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate CAS Name: 6-cyano-5-methyl-2-(nitrooxymethyl)-3-pyrazolo[1,2-a]cinnolin-11-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Traditional Name: 6-cyano-5-methyl-2-(nitrooxymethyl)pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylic acid ethyl ester Formula: C17H15N4O5+ MolecularWeight: 355.3248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=[N+]2N1C(=C(C3=CC=CC=C32)C#N)C)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=[N+]2N1C(=C(C3=CC=CC=C32)C#N)C)CO[N+](=O)[O-]

InChI

InChI=1S/C17H15N4O5/c1-3-25-17(22)16-12(10-26-21(23)24)9-19-15-7-5-4-6-13(15)14(8-18)11(2)20(16)19/h4-7,9H,3,10H2,1-2H3/q+1