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

Systemtic Name: (2S)-2-(4-bromanylpyrazol-1-yl)propanoate Openeye Name: (2S)-2-(4-bromopyrazol-1-yl)propanoate CAS Name: (2S)-2-(4-bromo-1-pyrazolyl)propanoate IUPAC Name: (2S)-2-(4-bromopyrazol-1-yl)propanoate Traditional Name: (2S)-2-(4-bromopyrazol-1-yl)propionate Formula: C6H6BrN2O2- MolecularWeight: 218.02804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C=C(C=N1)Br

Isomeric SMILES

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

InChI

InChI=1S/C6H7BrN2O2/c1-4(6(10)11)9-3-5(7)2-8-9/h2-4H,1H3,(H,10,11)/p-1/t4-/m0/s1