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

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

Click to see the large picture

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