5-bromanyl-1,4-dimethyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-bromanyl-1,4-dimethyl-pyrazole-3-carboxylic acid Openeye Name: 5-bromo-1,4-dimethyl-pyrazole-3-carboxylic acid CAS Name: 5-bromo-1,4-dimethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-bromo-1,4-dimethylpyrazole-3-carboxylic acid Traditional Name: 5-bromo-1,4-dimethyl-pyrazole-3-carboxylic acid Formula: C6H7BrN2O2 MolecularWeight: 219.03598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C)Br

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C)Br

InChI

InChI=1S/C6H7BrN2O2/c1-3-4(6(10)11)8-9(2)5(3)7/h1-2H3,(H,10,11)