sodium 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoate

Systemtic Name: sodium 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoate Openeye Name: sodium 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetate CAS Name: sodium 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)acetate IUPAC Name: sodium 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetate Traditional Name: sodium 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetate Formula: C7H8BrN2NaO2 MolecularWeight: 255.04439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)[O-])C)Br.[Na+]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)[O-])C)Br.[Na+]

InChI

InChI=1S/C7H9BrN2O2.Na/c1-4-7(8)5(2)10(9-4)3-6(11)12;/h3H2,1-2H3,(H,11,12);/q;+1/p-1