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

Systemtic Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H7N3O6S MolecularWeight: 321.26548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O6S/c16-10-6(11(17)14-12(22)13-10)1-5-2-8-9(21-4-20-8)3-7(5)15(18)19/h1-3H,4H2,(H2,13,14,16,17,22)