1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-hex-3-enyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-hex-3-enylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid Formula: C18H20ClFN2O2 MolecularWeight: 350.815003

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)CC)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)CC)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H20ClFN2O2/c1-3-5-6-7-8-15-17(18(23)24)16(4-2)22(21-15)12-9-10-14(20)13(19)11-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,24)