2-(4-bromanyl-2-fluoranyl-5-isocyanato-phenyl)-6-methyl-5-(trifluoromethyl)cyclohex-4-ene-1,3-dione

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-5-isocyanato-phenyl)-6-methyl-5-(trifluoromethyl)cyclohex-4-ene-1,3-dione Openeye Name: 2-(4-bromo-2-fluoro-5-isocyanato-phenyl)-6-methyl-5-(trifluoromethyl)cyclohex-4-ene-1,3-dione CAS Name: 2-(4-bromo-2-fluoro-5-isocyanatophenyl)-6-methyl-5-(trifluoromethyl)cyclohex-4-ene-1,3-dione IUPAC Name: 2-(4-bromo-2-fluoro-5-isocyanatophenyl)-6-methyl-5-(trifluoromethyl)cyclohex-4-ene-1,3-dione Traditional Name: 2-(4-bromo-2-fluoro-5-isocyanato-phenyl)-6-methyl-5-(trifluoromethyl)cyclohex-4-ene-1,3-quinone Formula: C15H8BrF4NO3 MolecularWeight: 406.126533

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC(=O)C(C1=O)C2=CC(=C(C=C2F)Br)N=C=O)C(F)(F)F

Isomeric SMILES

CC1C(=CC(=O)C(C1=O)C2=CC(=C(C=C2F)Br)N=C=O)C(F)(F)F

InChI

InChI=1S/C15H8BrF4NO3/c1-6-8(15(18,19)20)3-12(23)13(14(6)24)7-2-11(21-5-22)9(16)4-10(7)17/h2-4,6,13H,1H3