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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C18H12BrN3O6S/c1-28-14-8-12(22(26)27)6-9(15(14)23)7-13-16(24)20-18(29)21(17(13)25)11-4-2-10(19)3-5-11/h2-8,23H,1H3,(H,20,24,29)/b13-7-