5-bromanyl-3-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 5-bromanyl-3-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 5-bromo-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 5-bromo-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 5-bromo-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 5-bromo-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Formula: C12H3BrClF6N3O3 MolecularWeight: 466.517939

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC(=C(C2=O)Br)C(F)(F)F)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC(=C(C2=O)Br)C(F)(F)F)Cl)C(F)(F)F

InChI

InChI=1S/C12H3BrClF6N3O3/c13-7-9(12(18,19)20)21-3-22(10(7)24)8-5(14)1-4(11(15,16)17)2-6(8)23(25)26/h1-3H