(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propanoate

Systemtic Name: (2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propanoate Openeye Name: (2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propanoate CAS Name: (2S)-3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropanoate IUPAC Name: (2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate Traditional Name: (2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propionate Formula: C9H13N2O2- MolecularWeight: 181.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C[C@H](C)C(=O)[O-])C

InChI

InChI=1S/C9H14N2O2/c1-6(9(12)13)5-11-8(3)4-7(2)10-11/h4,6H,5H2,1-3H3,(H,12,13)/p-1/t6-/m0/s1