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

Systemtic Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]barbituric acid Formula: C12H7N3O7 MolecularWeight: 305.19988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N3O7/c16-10-6(11(17)14-12(18)13-10)1-5-2-8-9(22-4-21-8)3-7(5)15(19)20/h1-3H,4H2,(H2,13,14,16,17,18)