tert-butyl 4-[5-(N-oxidanylidenecarbamimidoyl)-1,2-dihydro-1,2,3-triazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(N-oxidanylidenecarbamimidoyl)-1,2-dihydro-1,2,3-triazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(N-oxocarbamimidoyl)-1,2-dihydrotriazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-[imino(nitroso)methyl]-1,2-dihydrotriazol-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(N-oxocarbamimidoyl)-1,2-dihydrotriazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(N-ketoamidino)-1,2-dihydrotriazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C13H22N6O3 MolecularWeight: 310.35218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(NN2)C(=N)N=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(NN2)C(=N)N=O

InChI

InChI=1S/C13H22N6O3/c1-13(2,3)22-12(20)18-6-4-9(5-7-18)19-8-10(15-17-19)11(14)16-21/h8-9,14-15,17H,4-7H2,1-3H3