3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(3-cyanophenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoic acid Formula: C17H11N3O2 MolecularWeight: 289.28814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NN(C=C2)C3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NN(C=C2)C3=CC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C17H11N3O2/c18-11-12-3-1-4-13(9-12)16-7-8-20(19-16)15-6-2-5-14(10-15)17(21)22/h1-10H,(H,21,22)