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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoate Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propanoate IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propionate Formula: C8H10BrN2O2- MolecularWeight: 246.0812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)[O-])C)Br

InChI

InChI=1S/C8H11BrN2O2/c1-5-8(9)6(2)11(10-5)4-3-7(12)13/h3-4H2,1-2H3,(H,12,13)/p-1