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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)CC2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)CC2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C11H9N3O7/c15-7-3-4(2-6(8(7)16)14(20)21)1-5-9(17)12-11(19)13-10(5)18/h2-3,5,15-16H,1H2,(H2,12,13,17,18,19)