4,4-bis(bromanyl)-5-tert-butyl-2-methyl-pyrazol-3-one

Systemtic Name: 4,4-bis(bromanyl)-5-tert-butyl-2-methyl-pyrazol-3-one Openeye Name: 4,4-dibromo-5-tert-butyl-2-methyl-pyrazol-3-one CAS Name: 4,4-dibromo-5-tert-butyl-2-methyl-3-pyrazolone IUPAC Name: 4,4-dibromo-5-tert-butyl-2-methylpyrazol-3-one Traditional Name: 4,4-dibromo-5-tert-butyl-2-methyl-2-pyrazolin-3-one Formula: C8H12Br2N2O MolecularWeight: 312.00168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1(Br)Br)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1(Br)Br)C

InChI

InChI=1S/C8H12Br2N2O/c1-7(2,3)5-8(9,10)6(13)12(4)11-5/h1-4H3