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

Systemtic Name: 5-[(5-bromanyl-2-butoxy-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-bromo-2-butoxy-phenyl)methylene]-1-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-bromo-2-butoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-bromo-2-butoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-bromo-2-butoxy-benzylidene)-1-(3-nitrophenyl)barbituric acid Formula: C21H18BrN3O6 MolecularWeight: 488.28812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18BrN3O6/c1-2-3-9-31-18-8-7-14(22)10-13(18)11-17-19(26)23-21(28)24(20(17)27)15-5-4-6-16(12-15)25(29)30/h4-8,10-12H,2-3,9H2,1H3,(H,23,26,28)