ethyl 4-(2-cyanoethylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate

Systemtic Name: ethyl 4-(2-cyanoethylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 4-(2-cyanoethylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 4-(2-cyanoethylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyanoethylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 4-(2-cyanoethylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C13H16N5O2+ MolecularWeight: 274.29844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCC#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCC#N

InChI

InChI=1S/C13H15N5O2/c1-3-20-13(19)10-7-16-12-9(8-17-18(12)2)11(10)15-6-4-5-14/h7-8H,3-4,6H2,1-2H3,(H,15,16,17,19)/p+1