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

Systemtic Name: 1-(3-bromophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-bromophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-bromophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-bromophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-bromophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]barbituric acid Formula: C19H13BrN2O6 MolecularWeight: 445.22032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br)OCO2

InChI

InChI=1S/C19H13BrN2O6/c1-26-14-8-16-15(27-9-28-16)6-10(14)5-13-17(23)21-19(25)22(18(13)24)12-4-2-3-11(20)7-12/h2-8H,9H2,1H3,(H,21,23,25)