ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-oxidanylidenepiperidin-1-yl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-oxidanylidenepiperidin-1-yl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-oxo-1-piperidyl)methyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-oxo-1-piperidinyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-oxopiperidin-1-yl)methyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(4-ketopiperidino)methyl]triazole-4-carboxylic acid ethyl ester Formula: C13H17N7O4 MolecularWeight: 335.31858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCC(=O)CC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCC(=O)CC3

InChI

InChI=1S/C13H17N7O4/c1-2-23-13(22)10-9(7-19-5-3-8(21)4-6-19)20(18-15-10)12-11(14)16-24-17-12/h2-7H2,1H3,(H2,14,16)