4-bromanyl-5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: 4-bromanyl-5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: 2-benzyl-4-bromo-5-tert-butyl-pyrazole-3-carboxylate CAS Name: 4-bromo-5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylate IUPAC Name: 2-benzyl-4-bromo-5-tert-butylpyrazole-3-carboxylate Traditional Name: 2-benzyl-4-bromo-5-tert-butyl-pyrazole-3-carboxylate Formula: C15H16BrN2O2- MolecularWeight: 336.20374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1Br)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1Br)C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H17BrN2O2/c1-15(2,3)13-11(16)12(14(19)20)18(17-13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,19,20)/p-1