1-(3-chloranyl-4-fluoranyl-phenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3,5-dipropyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3,5-dipropylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid Formula: C16H18ClFN2O2 MolecularWeight: 324.777723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC)C(=O)O

InChI

InChI=1S/C16H18ClFN2O2/c1-3-5-13-15(16(21)22)14(6-4-2)20(19-13)10-7-8-12(18)11(17)9-10/h7-9H,3-6H2,1-2H3,(H,21,22)