[3-(4-butyl-3-methyl-5-oxidanylidene-1H-pyrazol-4-yl)propanoylamino]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-(4-butyl-3-methyl-5-oxidanylidene-1H-pyrazol-4-yl)propanoylamino]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [3-(4-butyl-3-methyl-5-oxo-1H-pyrazol-4-yl)propanoylamino]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [[3-(4-butyl-3-methyl-5-oxo-1H-pyrazol-4-yl)-1-oxopropyl]amino]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [3-(4-butyl-3-methyl-5-oxo-1H-pyrazol-4-yl)propanoylamino]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [3-(4-butyl-3-keto-5-methyl-2-pyrazolin-4-yl)propanoylamino]ammonium binoxalate Formula: C13H22N4O6 MolecularWeight: 330.33698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=NNC1=O)C)CCC(=O)N[NH3+].C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCC1(C(=NNC1=O)C)CCC(=O)N[NH3+].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C11H20N4O2.C2H2O4/c1-3-4-6-11(7-5-9(16)13-12)8(2)14-15-10(11)17;3-1(4)2(5)6/h3-7,12H2,1-2H3,(H,13,16)(H,15,17);(H,3,4)(H,5,6)