5-chloranyl-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(3-cyanophenyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H5ClF3N3O2 MolecularWeight: 315.63521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C#N

InChI

InChI=1S/C12H5ClF3N3O2/c13-10-8(11(20)21)9(12(14,15)16)18-19(10)7-3-1-2-6(4-7)5-17/h1-4H,(H,20,21)