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

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-1-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-1-(3-nitrophenyl)barbituric acid Formula: C18H12BrN3O7 MolecularWeight: 462.20778

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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)[N+](=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Br)O

InChI

InChI=1S/C18H12BrN3O7/c1-29-14-7-9(6-13(19)15(14)23)5-12-16(24)20-18(26)21(17(12)25)10-3-2-4-11(8-10)22(27)28/h2-8,23H,1H3,(H,20,24,26)