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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanoic acid Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butanoic acid CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)butanoic acid IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoic acid Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butyric acid Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=C(C(=N1)C)Br)C

Isomeric SMILES

CCC(C(=O)O)N1C(=C(C(=N1)C)Br)C

InChI

InChI=1S/C9H13BrN2O2/c1-4-7(9(13)14)12-6(3)8(10)5(2)11-12/h7H,4H2,1-3H3,(H,13,14)