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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-[(5-iodanyl-3-methoxy-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-[(2-hydroxy-5-iodo-3-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1,3-benzodioxol-5-yl)-5-[(2-hydroxy-5-iodo-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-[(2-hydroxy-5-iodo-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-(2-hydroxy-5-iodo-3-methoxy-benzylidene)barbituric acid Formula: C19H13IN2O7 MolecularWeight: 508.22019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)I)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=C(C(=CC(=C1)I)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C19H13IN2O7/c1-27-15-6-10(20)4-9(16(15)23)5-12-17(24)21-19(26)22(18(12)25)11-2-3-13-14(7-11)29-8-28-13/h2-7,23H,8H2,1H3,(H,21,24,26)