1-(4-bromophenyl)-5-tert-butyl-pyrazole-3-carboxylate

Systemtic Name: 1-(4-bromophenyl)-5-tert-butyl-pyrazole-3-carboxylate Openeye Name: 1-(4-bromophenyl)-5-tert-butyl-pyrazole-3-carboxylate CAS Name: 1-(4-bromophenyl)-5-tert-butyl-3-pyrazolecarboxylate IUPAC Name: 1-(4-bromophenyl)-5-tert-butylpyrazole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-5-tert-butyl-pyrazole-3-carboxylate Formula: C14H14BrN2O2- MolecularWeight: 322.17716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C14H15BrN2O2/c1-14(2,3)12-8-11(13(18)19)16-17(12)10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H,18,19)/p-1