3-tert-butyl-4-phenoxy-1,4-dihydropyrazol-5-one

Systemtic Name: 3-tert-butyl-4-phenoxy-1,4-dihydropyrazol-5-one Openeye Name: 3-tert-butyl-4-phenoxy-1,4-dihydropyrazol-5-one CAS Name: 3-tert-butyl-4-phenoxy-1,4-dihydropyrazol-5-one IUPAC Name: 3-tert-butyl-4-phenoxy-1,4-dihydropyrazol-5-one Traditional Name: 5-tert-butyl-4-phenoxy-2-pyrazolin-3-one Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=O)C1OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NNC(=O)C1OC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c1-13(2,3)11-10(12(16)15-14-11)17-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,16)