6-[[2-bromanyl-4-(trifluoromethyloxy)phenyl]amino]-2-methyl-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[[2-bromanyl-4-(trifluoromethyloxy)phenyl]amino]-2-methyl-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-[2-bromo-4-(trifluoromethoxy)anilino]-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-[2-bromo-4-(trifluoromethoxy)anilino]-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-[2-bromo-4-(trifluoromethoxy)anilino]-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-[2-bromo-4-(trifluoromethoxy)anilino]-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C12H8BrF3N4O4 MolecularWeight: 409.11553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)NC2=C(C=C(C=C2)OC(F)(F)F)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)NC2=C(C=C(C=C2)OC(F)(F)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H8BrF3N4O4/c1-5-17-10(9(20(22)23)11(21)18-5)19-8-3-2-6(4-7(8)13)24-12(14,15)16/h2-4H,1H3,(H2,17,18,19,21)