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

Systemtic Name: (5Z)-1-(3-bromophenyl)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(3-bromophenyl)-5-(4-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=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

InChI

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