2-chloranyl-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoro-benzoic acid CAS Name: 2-chloro-5-(5-cyano-1,4-dimethyl-3-pyrazolyl)-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-(5-cyano-1,4-dimethylpyrazol-3-yl)-4-fluorobenzoic acid Traditional Name: 2-chloro-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoro-benzoic acid Formula: C13H9ClFN3O2 MolecularWeight: 293.680863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)O)C)C#N

Isomeric SMILES

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)O)C)C#N

InChI

InChI=1S/C13H9ClFN3O2/c1-6-11(5-16)18(2)17-12(6)8-3-7(13(19)20)9(14)4-10(8)15/h3-4H,1-2H3,(H,19,20)