tert-butyl 5-azanyl-4-bromanyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-azanyl-4-bromanyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-amino-4-bromo-pyrazole-1-carboxylate CAS Name: 5-amino-4-bromo-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-4-bromopyrazole-1-carboxylate Traditional Name: 5-amino-4-bromo-pyrazole-1-carboxylic acid tert-butyl ester Formula: C8H12BrN3O2 MolecularWeight: 262.10378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12BrN3O2/c1-8(2,3)14-7(13)12-6(10)5(9)4-11-12/h4H,10H2,1-3H3