(3R)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanoate

Systemtic Name: (3R)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanoate Openeye Name: (3R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butanoate CAS Name: (3R)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)butanoate IUPAC Name: (3R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoate Traditional Name: (3R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butyrate Formula: C9H12BrN2O2- MolecularWeight: 260.10778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)CC(=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)CC(=O)[O-])C)Br

InChI

InChI=1S/C9H13BrN2O2/c1-5(4-8(13)14)12-7(3)9(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)/p-1/t5-/m1/s1