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

Systemtic Name: 5-[[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[5-bromo-2-(3-nitrobenzyl)oxy-benzylidene]barbituric acid Formula: C18H12BrN3O6 MolecularWeight: 446.20838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C18H12BrN3O6/c19-12-4-5-15(28-9-10-2-1-3-13(6-10)22(26)27)11(7-12)8-14-16(23)20-18(25)21-17(14)24/h1-8H,9H2,(H2,20,21,23,24,25)