tert-butyl 4-bromanyl-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-bromanyl-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]pyrazole-1-carboxylate Openeye Name: tert-butyl 4-bromo-3-(2,2,2-trichloroethoxycarbonylamino)pyrazole-1-carboxylate CAS Name: 4-bromo-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromo-3-(2,2,2-trichloroethoxycarbonylamino)pyrazole-1-carboxylate Traditional Name: 4-bromo-3-(2,2,2-trichloroethoxycarbonylamino)pyrazole-1-carboxylic acid tert-butyl ester Formula: C11H13BrCl3N3O4 MolecularWeight: 437.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C(=N1)NC(=O)OCC(Cl)(Cl)Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C(=N1)NC(=O)OCC(Cl)(Cl)Cl)Br

InChI

InChI=1S/C11H13BrCl3N3O4/c1-10(2,3)22-9(20)18-4-6(12)7(17-18)16-8(19)21-5-11(13,14)15/h4H,5H2,1-3H3,(H,16,17,19)