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

Systemtic Name: 3-[1-(4-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: 3-[1-(4-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(4-bromophenyl)-3,5-dimethyl-4-pyrazolyl]propanoate IUPAC Name: 3-[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(4-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]propionate Formula: C14H14BrN2O2- MolecularWeight: 322.17716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O2/c1-9-13(7-8-14(18)19)10(2)17(16-9)12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,18,19)/p-1