4-[5-(4-chlorophenyl)-1-methyl-pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-1-methyl-pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(4-chlorophenyl)-1-methyl-pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(4-chlorophenyl)-1-methyl-3-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(4-chlorophenyl)-1-methyl-pyrazol-3-yl]benzoic acid Formula: C17H13ClN2O2 MolecularWeight: 312.75032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O2/c1-20-16(12-6-8-14(18)9-7-12)10-15(19-20)11-2-4-13(5-3-11)17(21)22/h2-10H,1H3,(H,21,22)