3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)O)C)Br

InChI

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