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

Systemtic Name: 1,3-dimethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]barbituric acid Formula: C14H11N3O7 MolecularWeight: 333.25304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)N(C1=O)C

InChI

InChI=1S/C14H11N3O7/c1-15-12(18)8(13(19)16(2)14(15)20)3-7-4-10-11(24-6-23-10)5-9(7)17(21)22/h3-5H,6H2,1-2H3