1-azanyl-3-(8-bromanyl-6-fluoranyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidin-1-ium-2,4-dione

Systemtic Name: 1-azanyl-3-(8-bromanyl-6-fluoranyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidin-1-ium-2,4-dione Openeye Name: 1-amino-3-(8-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidin-1-ium-2,4-dione CAS Name: 1-amino-3-(8-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidin-1-ium-2,4-dione IUPAC Name: 1-amino-3-(8-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidin-1-ium-2,4-dione Traditional Name: 1-amino-3-(8-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidin-1-ium-2,4-quinone Formula: C14H11BrF4N3O4+ MolecularWeight: 441.152453

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=CC(=O)N(C1=O)C2=C3C(=C(C=C2F)Br)OCCO3)C(F)(F)F)N

Isomeric SMILES

C[N+]1(C(=CC(=O)N(C1=O)C2=C3C(=C(C=C2F)Br)OCCO3)C(F)(F)F)N

InChI

InChI=1S/C14H11BrF4N3O4/c1-22(20)8(14(17,18)19)5-9(23)21(13(22)24)10-7(16)4-6(15)11-12(10)26-3-2-25-11/h4-5H,2-3,20H2,1H3/q+1