4-bromanyl-2-tert-butyl-5-methyl-pyrazole-3-carboxylate

Systemtic Name: 4-bromanyl-2-tert-butyl-5-methyl-pyrazole-3-carboxylate Openeye Name: 4-bromo-2-tert-butyl-5-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-2-tert-butyl-5-methyl-3-pyrazolecarboxylate IUPAC Name: 4-bromo-2-tert-butyl-5-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-2-tert-butyl-5-methyl-pyrazole-3-carboxylate Formula: C9H12BrN2O2- MolecularWeight: 260.10778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C9H13BrN2O2/c1-5-6(10)7(8(13)14)12(11-5)9(2,3)4/h1-4H3,(H,13,14)/p-1