(2S)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoate

Systemtic Name: (2S)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoate Openeye Name: (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoate CAS Name: (2S)-3-(4-bromo-1-pyrazolyl)-2-methylpropanoate IUPAC Name: (2S)-3-(4-bromopyrazol-1-yl)-2-methylpropanoate Traditional Name: (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-propionate Formula: C7H8BrN2O2- MolecularWeight: 232.05462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)[O-]

Isomeric SMILES

C[C@@H](CN1C=C(C=N1)Br)C(=O)[O-]

InChI

InChI=1S/C7H9BrN2O2/c1-5(7(11)12)3-10-4-6(8)2-9-10/h2,4-5H,3H2,1H3,(H,11,12)/p-1/t5-/m0/s1