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

Systemtic Name: 3-(3-chloranyl-4-nitro-phenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione Openeye Name: 3-(3-chloro-4-nitro-phenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione CAS Name: 3-(3-chloro-4-nitrophenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione IUPAC Name: 3-(3-chloro-4-nitrophenyl)-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione Traditional Name: 3-(3-chloro-4-nitro-phenyl)-6-(dimethylamino)-1-methyl-s-triazine-2,4-quinone Formula: C12H12ClN5O4 MolecularWeight: 325.70778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5O4/c1-15(2)10-14-11(19)17(12(20)16(10)3)7-4-5-9(18(21)22)8(13)6-7/h4-6H,1-3H3