2-[1-(2-cyanoethyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2-cyanoethyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoic acid Openeye Name: 2-[1-(2-cyanoethyl)-5-oxo-4H-pyrazol-3-yl]acetic acid CAS Name: 2-[1-(2-cyanoethyl)-5-oxo-4H-pyrazol-3-yl]acetic acid IUPAC Name: 2-[1-(2-cyanoethyl)-5-oxo-4H-pyrazol-3-yl]acetic acid Traditional Name: 2-[1-(2-cyanoethyl)-5-keto-2-pyrazolin-3-yl]acetic acid Formula: C8H9N3O3 MolecularWeight: 195.17536

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CCC#N)CC(=O)O

Isomeric SMILES

C1C(=NN(C1=O)CCC#N)CC(=O)O

InChI

InChI=1S/C8H9N3O3/c9-2-1-3-11-7(12)4-6(10-11)5-8(13)14/h1,3-5H2,(H,13,14)