2-tert-butyl-4H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4H-pyrazol-3-one Openeye Name: 2-tert-butyl-4H-pyrazol-3-one CAS Name: 2-tert-butyl-4H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4H-pyrazol-3-one Traditional Name: 2-tert-butyl-2-pyrazolin-3-one Formula: C7H12N2O MolecularWeight: 140.18298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)CC=N1

Isomeric SMILES

CC(C)(C)N1C(=O)CC=N1

InChI

InChI=1S/C7H12N2O/c1-7(2,3)9-6(10)4-5-8-9/h5H,4H2,1-3H3