1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-phenethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-phenethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-phenethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-phenethyl-pyrazole-4-carboxylic acid Formula: C19H16ClFN2O2 MolecularWeight: 358.793943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H16ClFN2O2/c1-12-18(19(24)25)17(10-7-13-5-3-2-4-6-13)22-23(12)14-8-9-16(21)15(20)11-14/h2-6,8-9,11H,7,10H2,1H3,(H,24,25)