3-[(4R)-4-butyl-3-methyl-5-oxidanylidene-1H-pyrazol-4-yl]propanoate

Systemtic Name: 3-[(4R)-4-butyl-3-methyl-5-oxidanylidene-1H-pyrazol-4-yl]propanoate Openeye Name: 3-[(4R)-4-butyl-3-methyl-5-oxo-1H-pyrazol-4-yl]propanoate CAS Name: 3-[(4R)-4-butyl-3-methyl-5-oxo-1H-pyrazol-4-yl]propanoate IUPAC Name: 3-[(4R)-4-butyl-3-methyl-5-oxo-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[(4R)-4-butyl-3-keto-5-methyl-2-pyrazolin-4-yl]propionate Formula: C11H17N2O3- MolecularWeight: 225.26428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=NNC1=O)C)CCC(=O)[O-]

Isomeric SMILES

CCCC[C@]1(C(=NNC1=O)C)CCC(=O)[O-]

InChI

InChI=1S/C11H18N2O3/c1-3-4-6-11(7-5-9(14)15)8(2)12-13-10(11)16/h3-7H2,1-2H3,(H,13,16)(H,14,15)/p-1/t11-/m1/s1