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

Systemtic Name: 3-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(3-bromophenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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