2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoic acid

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoic acid Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetic acid CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)acetic acid IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetic acid Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetic acid Formula: C7H9BrN2O2 MolecularWeight: 233.06256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)Br

InChI

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