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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-(3-bromo-5-ethoxy-4-methoxy-benzylidene)barbituric acid Formula: C21H17BrN2O7 MolecularWeight: 489.27288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)Br)OC

InChI

InChI=1S/C21H17BrN2O7/c1-3-29-17-8-11(7-14(22)18(17)28-2)6-13-19(25)23-21(27)24(20(13)26)12-4-5-15-16(9-12)31-10-30-15/h4-9H,3,10H2,1-2H3,(H,23,25,27)