2-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(3-bromophenyl)-3,5-dimethyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid Traditional Name: 2-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]acetic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)Br)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)Br)C)CC(=O)O

InChI

InChI=1S/C13H13BrN2O2/c1-8-12(7-13(17)18)9(2)16(15-8)11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,17,18)