sodium 4-methyl-2-propan-2-yl-1H-pyrazol-5-one

Systemtic Name: sodium 4-methyl-2-propan-2-yl-1H-pyrazol-5-one Openeye Name: sodium 2-isopropyl-4-methyl-1H-pyrazol-5-one CAS Name: sodium 4-methyl-2-propan-2-yl-1H-pyrazol-5-one IUPAC Name: sodium 4-methyl-2-propan-2-yl-1H-pyrazol-5-one Traditional Name: sodium 1-isopropyl-4-methyl-3-pyrazolin-3-one Formula: C7H12N2NaO+ MolecularWeight: 163.17275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(NC1=O)C(C)C.[Na+]

Isomeric SMILES

CC1=CN(NC1=O)C(C)C.[Na+]

InChI

InChI=1S/C7H12N2O.Na/c1-5(2)9-4-6(3)7(10)8-9;/h4-5H,1-3H3,(H,8,10);/q;+1