5-methoxy-4,4-bis(oxidanyl)-2-propan-2-yl-pyrazol-3-one

Systemtic Name: 5-methoxy-4,4-bis(oxidanyl)-2-propan-2-yl-pyrazol-3-one Openeye Name: 4,4-dihydroxy-2-isopropyl-5-methoxy-pyrazol-3-one CAS Name: 4,4-dihydroxy-5-methoxy-2-propan-2-yl-3-pyrazolone IUPAC Name: 4,4-dihydroxy-5-methoxy-2-propan-2-ylpyrazol-3-one Traditional Name: 4,4-dihydroxy-2-isopropyl-5-methoxy-2-pyrazolin-3-one Formula: C7H12N2O4 MolecularWeight: 188.18118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O4/c1-4(2)9-6(10)7(11,12)5(8-9)13-3/h4,11-12H,1-3H3