3-bromanyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-bromanyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-bromo-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-bromo-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-bromo-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-bromo-1-methyl-pyrazole-4-carboxylic acid Formula: C5H5BrN2O2 MolecularWeight: 205.0094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)Br)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)Br)C(=O)O

InChI

InChI=1S/C5H5BrN2O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H,9,10)