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

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoate Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoate CAS Name: (2S)-2-(4-chloro-3,5-dimethyl-1-pyrazolyl)butanoate IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoate Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butyrate Formula: C9H12ClN2O2- MolecularWeight: 215.65678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C9H13ClN2O2/c1-4-7(9(13)14)12-6(3)8(10)5(2)11-12/h7H,4H2,1-3H3,(H,13,14)/p-1/t7-/m0/s1