sodium 4-methyl-2-(4-methylphenyl)-5-(oxidanidyloxymethyl)-1H-pyrazol-3-one

Systemtic Name: sodium 4-methyl-2-(4-methylphenyl)-5-(oxidanidyloxymethyl)-1H-pyrazol-3-one Openeye Name: sodium 4-methyl-5-(oxidooxymethyl)-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: sodium 4-methyl-2-(4-methylphenyl)-5-(oxidooxymethyl)-1H-pyrazol-3-one IUPAC Name: sodium 4-methyl-2-(4-methylphenyl)-5-(oxidooxymethyl)-1H-pyrazol-3-one Traditional Name: sodium 4-methyl-5-(oxidooxymethyl)-2-(p-tolyl)-3-pyrazolin-3-one Formula: C12H13N2NaO3 MolecularWeight: 256.23299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)CO[O-])C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)CO[O-])C.[Na+]

InChI

InChI=1S/C12H14N2O3.Na/c1-8-3-5-10(6-4-8)14-12(15)9(2)11(13-14)7-17-16;/h3-6,13,16H,7H2,1-2H3;/q;+1/p-1