5-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(7-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(7-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H7N3O6S MolecularWeight: 321.26548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=CC(=C2O1)[N+](=O)[O-])C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1OC2=CC(=CC(=C2O1)[N+](=O)[O-])C=C3C(=O)NC(=S)NC3=O

InChI

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