(2S)-2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)C(C)C(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Br)[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C7H9BrN2O2/c1-4-6(8)3-10(9-4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)/p-1/t5-/m0/s1