5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]barbituric acid Formula: C13H9N3O7 MolecularWeight: 319.22646

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O)OCO1

InChI

InChI=1S/C13H9N3O7/c17-11-9(12(18)15-13(19)14-11)3-6-1-8(16(20)21)2-7-4-22-5-23-10(6)7/h1-3H,4-5H2,(H2,14,15,17,18,19)