1-(3-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-allyloxy-3-methoxy-phenyl)methylene]-1-(3-bromophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-allyloxy-3-methoxy-benzylidene)-1-(3-bromophenyl)barbituric acid Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)OCC=C

InChI

InChI=1S/C21H17BrN2O5/c1-3-9-29-17-8-7-13(11-18(17)28-2)10-16-19(25)23-21(27)24(20(16)26)15-6-4-5-14(22)12-15/h3-8,10-12H,1,9H2,2H3,(H,23,25,27)