propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-1,2,3-triazole-4-carboxylate Openeye Name: isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-4-triazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(diethylaminomethyl)triazole-4-carboxylic acid isopropyl ester Formula: C13H21N7O3 MolecularWeight: 323.35094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)OC(C)C

Isomeric SMILES

CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)OC(C)C

InChI

InChI=1S/C13H21N7O3/c1-5-19(6-2)7-9-10(13(21)22-8(3)4)15-18-20(9)12-11(14)16-23-17-12/h8H,5-7H2,1-4H3,(H2,14,16)