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

Systemtic Name: 1-(4-chlorophenyl)-5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-(2-hydroxy-3-methoxy-5-nitro-benzylidene)barbituric acid Formula: C18H12ClN3O7 MolecularWeight: 417.75678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H12ClN3O7/c1-29-14-8-12(22(27)28)6-9(15(14)23)7-13-16(24)20-18(26)21(17(13)25)11-4-2-10(19)3-5-11/h2-8,23H,1H3,(H,20,24,26)