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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C12H11N3O5/c16-10-9(11(17)14-12(18)13-10)8(6-15(19)20)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,13,14,16,17,18)