(5E)-5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(3-bromo-4-hydroxy-5-nitro-benzylidene)-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12BrN3O6S MolecularWeight: 478.27338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])/C(=O)NC2=S

InChI

InChI=1S/C18H12BrN3O6S/c1-28-11-4-2-10(3-5-11)21-17(25)12(16(24)20-18(21)29)6-9-7-13(19)15(23)14(8-9)22(26)27/h2-8,23H,1H3,(H,20,24,29)/b12-6+