tert-butyl 4-bromanylpyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-bromanylpyrazole-1-carboxylate Openeye Name: tert-butyl 4-bromopyrazole-1-carboxylate CAS Name: 4-bromo-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromopyrazole-1-carboxylate Traditional Name: 4-bromopyrazole-1-carboxylic acid tert-butyl ester Formula: C8H11BrN2O2 MolecularWeight: 247.08914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=N1)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=N1)Br

InChI

InChI=1S/C8H11BrN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3