3-[4-(3-bromophenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-(3-bromophenyl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-(3-bromophenyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[4-(3-bromophenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-(3-bromophenyl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[4-(3-bromophenyl)pyrazol-1-yl]benzoic acid Formula: C16H11BrN2O2 MolecularWeight: 343.17474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CN(N=C2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CN(N=C2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H11BrN2O2/c17-14-5-1-3-11(7-14)13-9-18-19(10-13)15-6-2-4-12(8-15)16(20)21/h1-10H,(H,20,21)