[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl] ethanoate

Systemtic Name: [(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl] ethanoate Openeye Name: [(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl] acetate CAS Name: acetic acid [(1R)-1-(1-benzotriazolyl)-2,2-dimethylpropyl] ester IUPAC Name: [(1R)-1-(benzotriazol-1-yl)-2,2-dimethylpropyl] acetate Traditional Name: acetic acid [(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl] ester Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C)(C)C)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(=O)O[C@H](C(C)(C)C)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H17N3O2/c1-9(17)18-12(13(2,3)4)16-11-8-6-5-7-10(11)14-15-16/h5-8,12H,1-4H3/t12-/m1/s1