(2S)-2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoate

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoate Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoate CAS Name: (2S)-2-(4-chloro-3,5-dimethyl-1-pyrazolyl)propanoate IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propionate Formula: C8H10ClN2O2- MolecularWeight: 201.6302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1[C@@H](C)C(=O)[O-])C)Cl

InChI

InChI=1S/C8H11ClN2O2/c1-4-7(9)5(2)11(10-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)/p-1/t6-/m0/s1