3-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]propanoate

Systemtic Name: 3-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]propanoate Openeye Name: 3-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propanoate CAS Name: 3-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propanoate IUPAC Name: 3-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propanoate Traditional Name: 3-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]propionate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)[C@H]1CCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3/c1-9-11(7-8-12(16)17)13(18)15(14-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,16,17)/p-1/t11-/m0/s1