5-[(4-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(4-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-nitrophenyl)methyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-nitrobenzyl)barbituric acid Formula: C11H9N3O5 MolecularWeight: 263.20626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O5/c15-9-8(10(16)13-11(17)12-9)5-6-1-3-7(4-2-6)14(18)19/h1-4,8H,5H2,(H2,12,13,15,16,17)