4-(4-bromophenyl)-5-ethoxycarbonyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-3-diazonium chloride

Systemtic Name: 4-(4-bromophenyl)-5-ethoxycarbonyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-3-diazonium chloride Openeye Name: 4-(4-bromophenyl)-5-ethoxycarbonyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-3-diazonium chloride CAS Name: 4-(4-bromophenyl)-5-ethoxycarbonyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-3-diazonium chloride IUPAC Name: 4-(4-bromophenyl)-5-ethoxycarbonyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-3-diazonium chloride Traditional Name: 4-(4-bromophenyl)-5-carbethoxy-6-methyl-1H-pyrazolo[3,4-b]pyridine-3-diazonium chloride Formula: C16H13BrClN5O2 MolecularWeight: 422.66372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)Br)C(=NN2)[N+]#N)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)Br)C(=NN2)[N+]#N)C.[Cl-]

InChI

InChI=1S/C16H12BrN5O2.ClH/c1-3-24-16(23)11-8(2)19-14-13(15(20-18)22-21-14)12(11)9-4-6-10(17)7-5-9;/h4-7H,3H2,1-2H3;1H