5-[1-(4-ethoxyphenyl)-2-nitro-ethyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(4-ethoxyphenyl)-2-nitro-ethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(4-ethoxyphenyl)-2-nitro-ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-ethoxyphenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-ethoxyphenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-nitro-1-p-phenetyl-ethyl)barbituric acid Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C14H15N3O6/c1-2-23-9-5-3-8(4-6-9)10(7-17(21)22)11-12(18)15-14(20)16-13(11)19/h3-6,10-11H,2,7H2,1H3,(H2,15,16,18,19,20)