5-tert-butyl-2-(phenylmethyl)pyrazole-3,4-dione

Systemtic Name: 5-tert-butyl-2-(phenylmethyl)pyrazole-3,4-dione Openeye Name: 2-benzyl-5-tert-butyl-pyrazole-3,4-dione CAS Name: 5-tert-butyl-2-(phenylmethyl)pyrazole-3,4-dione IUPAC Name: 2-benzyl-5-tert-butylpyrazole-3,4-dione Traditional Name: 2-benzyl-5-tert-butyl-2-pyrazoline-3,4-quinone Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-14(2,3)12-11(17)13(18)16(15-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3