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

Systemtic Name: 5-[(3-iodanyl-4-methoxy-5-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-iodo-4-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-iodo-4-methoxy-5-nitro-benzylidene)barbituric acid Formula: C12H8IN3O6 MolecularWeight: 417.11289

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1I)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1I)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H8IN3O6/c1-22-9-7(13)3-5(4-8(9)16(20)21)2-6-10(17)14-12(19)15-11(6)18/h2-4H,1H3,(H2,14,15,17,18,19)