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

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoate IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate Formula: C13H12BrN2O2- MolecularWeight: 308.15058

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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)/p-1