2-(4-bromophenyl)-5-tert-butyl-4H-pyrazol-3-one

Systemtic Name: 2-(4-bromophenyl)-5-tert-butyl-4H-pyrazol-3-one Openeye Name: 2-(4-bromophenyl)-5-tert-butyl-4H-pyrazol-3-one CAS Name: 2-(4-bromophenyl)-5-tert-butyl-4H-pyrazol-3-one IUPAC Name: 2-(4-bromophenyl)-5-tert-butyl-4H-pyrazol-3-one Traditional Name: 2-(4-bromophenyl)-5-tert-butyl-2-pyrazolin-3-one Formula: C13H15BrN2O MolecularWeight: 295.175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN2O/c1-13(2,3)11-8-12(17)16(15-11)10-6-4-9(14)5-7-10/h4-7H,8H2,1-3H3