5-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3,4-dihydroxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3,4-dihydroxy-5-nitro-benzylidene)barbituric acid Formula: C11H7N3O7 MolecularWeight: 293.18918

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C11H7N3O7/c15-7-3-4(2-6(8(7)16)14(20)21)1-5-9(17)12-11(19)13-10(5)18/h1-3,15-16H,(H2,12,13,17,18,19)