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

Systemtic Name: (5E)-5-[(2,4-dimethoxy-5-nitro-phenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(2,4-dimethoxy-5-nitro-phenyl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(2,4-dimethoxy-5-nitro-benzylidene)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2OC)OC)[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC(=C(C=C2OC)OC)[N+](=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C14H13N3O6S/c1-16-13(19)8(12(18)15-14(16)24)4-7-5-9(17(20)21)11(23-3)6-10(7)22-2/h4-6H,1-3H3,(H,15,18,24)/b8-4+