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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-hex-3-enyl-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-methyl-pyrazole-4-carboxylic acid Formula: C17H18ClFN2O2 MolecularWeight: 336.788423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN2O2/c1-3-4-5-6-7-15-16(17(22)23)11(2)21(20-15)12-8-9-14(19)13(18)10-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,23)