2-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(4-bromophenyl)-3-phenyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]acetic acid Traditional Name: 2-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]acetic acid Formula: C17H13BrN2O2 MolecularWeight: 357.20132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O2/c18-14-6-8-15(9-7-14)20-11-13(10-16(21)22)17(19-20)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,22)