ethyl 4-ethoxy-7-oxidanidyl-1-pentyl-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylate

Systemtic Name: ethyl 4-ethoxy-7-oxidanidyl-1-pentyl-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylate Openeye Name: ethyl 4-ethoxy-7-oxido-1-pentyl-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylate CAS Name: 4-ethoxy-7-oxido-1-pentyl-5-pyrazolo[3,4-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethoxy-7-oxido-1-pentylpyrazolo[3,4-b]pyridin-7-ium-5-carboxylate Traditional Name: 1-amyl-4-ethoxy-7-oxido-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylic acid ethyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=[N+](C=C(C(=C2C=N1)OCC)C(=O)OCC)[O-]

Isomeric SMILES

CCCCCN1C2=[N+](C=C(C(=C2C=N1)OCC)C(=O)OCC)[O-]

InChI

InChI=1S/C16H23N3O4/c1-4-7-8-9-18-15-12(10-17-18)14(22-5-2)13(11-19(15)21)16(20)23-6-3/h10-11H,4-9H2,1-3H3