2-[(4S)-1-(2-hydroxyethyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoate

Systemtic Name: 2-[(4S)-1-(2-hydroxyethyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoate Openeye Name: 2-[(4S)-1-(2-hydroxyethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate CAS Name: 2-[(4S)-1-(2-hydroxyethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate IUPAC Name: 2-[(4S)-1-(2-hydroxyethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate Traditional Name: 2-[(4S)-1-(2-hydroxyethyl)-5-keto-3-methyl-2-pyrazolin-4-yl]acetate Formula: C8H11N2O4- MolecularWeight: 199.18394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=O)[O-])CCO

Isomeric SMILES

CC1=NN(C(=O)[C@H]1CC(=O)[O-])CCO

InChI

InChI=1S/C8H12N2O4/c1-5-6(4-7(12)13)8(14)10(9-5)2-3-11/h6,11H,2-4H2,1H3,(H,12,13)/p-1/t6-/m0/s1