5-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-chloro-2-hydroxy-3-nitro-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-chloro-2-hydroxy-3-nitro-benzylidene)-1,3-dimethyl-barbituric acid Formula: C13H10ClN3O6 MolecularWeight: 339.688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C(=O)N(C1=O)C

InChI

InChI=1S/C13H10ClN3O6/c1-15-11(19)8(12(20)16(2)13(15)21)4-6-3-7(14)5-9(10(6)18)17(22)23/h3-5,18H,1-2H3