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

Systemtic Name: 2-[2-(5-oxidanylidene-1,2-dihydropyrazol-3-yl)ethyl]propanedioic acid Openeye Name: 2-[2-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]propanedioic acid CAS Name: 2-[2-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]propanedioic acid IUPAC Name: 2-[2-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]propanedioic acid Traditional Name: 2-[2-(5-keto-3-pyrazolin-3-yl)ethyl]malonic acid Formula: C8H10N2O5 MolecularWeight: 214.1754

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NNC1=O)CCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=C(NNC1=O)CCC(C(=O)O)C(=O)O

InChI

InChI=1S/C8H10N2O5/c11-6-3-4(9-10-6)1-2-5(7(12)13)8(14)15/h3,5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,11)