3-(4-bromophenyl)-1-tert-butyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)-1-tert-butyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)-1-tert-butyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-bromophenyl)-1-tert-butyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-bromophenyl)-1-tert-butylpyrazole-4-carboxylic acid Traditional Name: 3-(4-bromophenyl)-1-tert-butyl-pyrazole-4-carboxylic acid Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)Br)C(=O)O

InChI

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