1-(3-bromanyl-4-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-bromanyl-4-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromo-4-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromo-4-methylphenyl)-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromo-4-methylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromo-4-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C)Br

InChI

InChI=1S/C13H13BrN2O2/c1-7-4-5-10(6-11(7)14)16-9(3)12(13(17)18)8(2)15-16/h4-6H,1-3H3,(H,17,18)