5-tert-butyl-2-phenyl-pyrazole-3,4-dione

Systemtic Name: 5-tert-butyl-2-phenyl-pyrazole-3,4-dione Openeye Name: 5-tert-butyl-2-phenyl-pyrazole-3,4-dione CAS Name: 5-tert-butyl-2-phenylpyrazole-3,4-dione IUPAC Name: 5-tert-butyl-2-phenylpyrazole-3,4-dione Traditional Name: 5-tert-butyl-2-phenyl-2-pyrazoline-3,4-quinone Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2/c1-13(2,3)11-10(16)12(17)15(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3