5-(2-bromanyl-4-methyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2-bromanyl-4-methyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-(2-bromo-4-methyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-(2-bromo-4-methylphenoxy)-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-(2-bromo-4-methyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C(=NN2C)C)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C(=NN2C)C)C(=O)O)Br

InChI

InChI=1S/C13H13BrN2O3/c1-7-4-5-10(9(14)6-7)19-12-11(13(17)18)8(2)15-16(12)3/h4-6H,1-3H3,(H,17,18)