2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methyl]propanedioic acid

Systemtic Name: 2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methyl]propanedioic acid Openeye Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanedioic acid CAS Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanedioic acid IUPAC Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanedioic acid Traditional Name: 2-[(5-keto-3-pyrazolin-3-yl)methyl]malonic acid Formula: C7H8N2O5 MolecularWeight: 200.14882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NNC1=O)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=C(NNC1=O)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C7H8N2O5/c10-5-2-3(8-9-5)1-4(6(11)12)7(13)14/h2,4H,1H2,(H,11,12)(H,13,14)(H2,8,9,10)