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

Systemtic Name: 2-[1-(2-cyanoethyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(2-cyanoethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(2-cyanoethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[1-(2-cyanoethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(2-cyanoethyl)-5-keto-3-methyl-2-pyrazolin-4-yl]acetic acid Formula: C9H11N3O3 MolecularWeight: 209.20194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=O)O)CCC#N

Isomeric SMILES

CC1=NN(C(=O)C1CC(=O)O)CCC#N

InChI

InChI=1S/C9H11N3O3/c1-6-7(5-8(13)14)9(15)12(11-6)4-2-3-10/h7H,2,4-5H2,1H3,(H,13,14)