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

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(diethylazaniumyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylammonio)methyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylammonio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylazaniumyl)methyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(diethylammonio)methyl]triazole-4-carboxylate Formula: C10H15N7O3 MolecularWeight: 281.2712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2N)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2N)C(=O)[O-]

InChI

InChI=1S/C10H15N7O3/c1-3-16(4-2)5-6-7(10(18)19)12-15-17(6)9-8(11)13-20-14-9/h3-5H2,1-2H3,(H2,11,13)(H,18,19)