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

Systemtic Name: ethyl 2,5-bis(bromomethyl)-6-cyano-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Openeye Name: ethyl 2,5-bis(bromomethyl)-6-cyano-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate CAS Name: 2,5-bis(bromomethyl)-6-cyano-3-pyrazolo[1,2-a]cinnolin-11-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-bis(bromomethyl)-6-cyanopyrazolo[1,2-a]cinnolin-11-ium-3-carboxylate Traditional Name: 2,5-bis(bromomethyl)-6-cyano-pyrazolo[1,2-a]cinnolin-11-ium-3-carboxylic acid ethyl ester Formula: C17H14Br2N3O2+ MolecularWeight: 452.11996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Br2N3O2/c1-2-24-17(23)16-11(7-18)10-21-14-6-4-3-5-12(14)13(9-20)15(8-19)22(16)21/h3-6,10H,2,7-8H2,1H3/q+1