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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3O6/c1-28-15-7-6-13(22(26)27)8-10(15)9-14-16(23)20-18(25)21(17(14)24)12-4-2-11(19)3-5-12/h2-9H,1H3,(H,20,23,25)