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

Systemtic Name: ethyl 2-(bromomethyl)-6-cyano-5-methyl-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Openeye Name: ethyl 2-(bromomethyl)-6-cyano-5-methyl-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate CAS Name: 2-(bromomethyl)-6-cyano-5-methyl-3-pyrazolo[1,2-a]cinnolin-11-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(bromomethyl)-6-cyano-5-methylpyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Traditional Name: 2-(bromomethyl)-6-cyano-5-methyl-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylic acid ethyl ester Formula: C17H15BrN3O2+ MolecularWeight: 373.2239

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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)CBr

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN3O2/c1-3-23-17(22)16-12(8-18)10-20-15-7-5-4-6-13(15)14(9-19)11(2)21(16)20/h4-7,10H,3,8H2,1-2H3/q+1