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

Systemtic Name: 5-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C13H11N3O6S/c1-21-9-4-6(8(16(19)20)5-10(9)22-2)3-7-11(17)14-13(23)15-12(7)18/h3-5H,1-2H3,(H2,14,15,17,18,23)