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

Systemtic Name: 2-[1-(4-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]ethanoate Openeye Name: 2-[1-(4-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]acetate CAS Name: 2-[1-(4-bromophenyl)-3,5-dimethyl-4-pyrazolyl]acetate IUPAC Name: 2-[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]acetate Traditional Name: 2-[1-(4-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]acetate Formula: C13H12BrN2O2- MolecularWeight: 308.15058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)CC(=O)[O-]

InChI

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