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

Systemtic Name: 5-[(5-bromanyl-3-nitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-bromo-2-hydroxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-bromo-2-hydroxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H6BrN3O5S MolecularWeight: 372.15144

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)C=C2C(=O)NC(=S)NC2=O)Br

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)C=C2C(=O)NC(=S)NC2=O)Br

InChI

InChI=1S/C11H6BrN3O5S/c12-5-1-4(8(16)7(3-5)15(19)20)2-6-9(17)13-11(21)14-10(6)18/h1-3,16H,(H2,13,14,17,18,21)