5-butyl-5-(2,4-dinitrophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-butyl-5-(2,4-dinitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-butyl-5-(2,4-dinitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-butyl-5-(2,4-dinitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-butyl-5-(2,4-dinitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-butyl-5-(2,4-dinitrophenyl)barbituric acid Formula: C14H14N4O7 MolecularWeight: 350.28356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=O)NC1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1(C(=O)NC(=O)NC1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O7/c1-2-3-6-14(11(19)15-13(21)16-12(14)20)9-5-4-8(17(22)23)7-10(9)18(24)25/h4-5,7H,2-3,6H2,1H3,(H2,15,16,19,20,21)