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

Systemtic Name: 1-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-[(3,4-dihydroxy-5-nitro-phenyl)methyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-[(3,4-dihydroxy-5-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[(3,4-dihydroxy-5-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dihydroxy-5-nitro-benzyl)barbituric acid Formula: C11H9N3O7 MolecularWeight: 295.20506

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)N(C1=O)CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC(=O)N(C1=O)CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O7/c15-7-2-5(1-6(10(7)18)14(20)21)4-13-9(17)3-8(16)12-11(13)19/h1-2,15,18H,3-4H2,(H,12,16,19)