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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

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