4-bromanyl-2-chloranyl-4-fluoranyl-1-methyl-3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-bromanyl-2-chloranyl-4-fluoranyl-1-methyl-3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-bromo-2-chloro-4-fluoro-1-methyl-3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-bromo-2-chloro-4-fluoro-1-methyl-3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-bromo-2-chloro-4-fluoro-1-methyl-3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-bromo-2-chloro-4-fluoro-1-methyl-3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C12H8BrClF4N2O2 MolecularWeight: 403.554733

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(C(=C1Cl)C2=CC=NN2)(F)Br)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1(C=C(C(C(=C1Cl)C2=CC=NN2)(F)Br)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H8BrClF4N2O2/c1-10(9(21)22)4-6(12(16,17)18)11(13,15)7(8(10)14)5-2-3-19-20-5/h2-4H,1H3,(H,19,20)(H,21,22)