3-(4-chloranyl-2-fluoranyl-5-nitro-phenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione

Systemtic Name: 3-(4-chloranyl-2-fluoranyl-5-nitro-phenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione Openeye Name: 3-(4-chloro-2-fluoro-5-nitro-phenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione CAS Name: 3-(4-chloro-2-fluoro-5-nitrophenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione IUPAC Name: 3-(4-chloro-2-fluoro-5-nitrophenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione Traditional Name: 3-(4-chloro-2-fluoro-5-nitro-phenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-quinone Formula: C12H13ClFN5O4 MolecularWeight: 345.714123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)[N+](=O)[O-])N(C)C

Isomeric SMILES

CN1C(NC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C12H13ClFN5O4/c1-16(2)10-15-11(20)18(12(21)17(10)3)9-5-8(19(22)23)6(13)4-7(9)14/h4-5,10H,1-3H3,(H,15,20)