3-(2-bromanylethanoyl)pyrazole-3-carboxylic acid

Systemtic Name: 3-(2-bromanylethanoyl)pyrazole-3-carboxylic acid Openeye Name: 3-(2-bromoacetyl)pyrazole-3-carboxylic acid CAS Name: 3-(2-bromo-1-oxoethyl)-3-pyrazolecarboxylic acid IUPAC Name: 3-(2-bromoacetyl)pyrazole-3-carboxylic acid Traditional Name: 3-(2-bromoacetyl)pyrazole-3-carboxylic acid Formula: C6H5BrN2O3 MolecularWeight: 233.0195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=NC1(C(=O)CBr)C(=O)O

Isomeric SMILES

C1=CN=NC1(C(=O)CBr)C(=O)O

InChI

InChI=1S/C6H5BrN2O3/c7-3-4(10)6(5(11)12)1-2-8-9-6/h1-2H,3H2,(H,11,12)