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

Systemtic Name: 4-bromanyl-5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-4-bromo-5-tert-butyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-4-bromo-5-tert-butylpyrazole-3-carboxylic acid Traditional Name: 2-benzyl-4-bromo-5-tert-butyl-pyrazole-3-carboxylic acid Formula: C15H17BrN2O2 MolecularWeight: 337.21168

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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)