5-ethyl-5-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-ethyl-5-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-5-(4-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-5-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-5-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-ethyl-5-(4-nitrophenyl)barbituric acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5/c1-2-12(9(16)13-11(18)14-10(12)17)7-3-5-8(6-4-7)15(19)20/h3-6H,2H2,1H3,(H2,13,14,16,17,18)