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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC1=O

Isomeric SMILES

CN1C(=O)/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C(=O)NC1=O

InChI

InChI=1S/C13H9N3O7/c1-15-12(18)7(11(17)14-13(15)19)2-6-3-9-10(23-5-22-9)4-8(6)16(20)21/h2-4H,5H2,1H3,(H,14,17,19)/b7-2-