3-[3,5-dimethyl-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazol-4-yl]propanoate

Systemtic Name: 3-[3,5-dimethyl-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazol-4-yl]propanoate Openeye Name: 3-[3,5-dimethyl-1-(3-oxido-3-oxo-propyl)pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-(3-oxido-3-oxopropyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[3,5-dimethyl-1-(3-oxido-3-oxopropyl)pyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-keto-3-oxido-propyl)-3,5-dimethyl-pyrazol-4-yl]propionate Formula: C11H14N2O4-2 MolecularWeight: 238.23986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)[O-])C)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)[O-])C)CCC(=O)[O-]

InChI

InChI=1S/C11H16N2O4/c1-7-9(3-4-10(14)15)8(2)13(12-7)6-5-11(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)/p-2