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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)NC1=S

InChI

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