5-[[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(4-ethyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]barbituric acid Formula: C17H20N5O5+ MolecularWeight: 374.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C17H19N5O5/c1-2-20-5-7-21(8-6-20)14-4-3-12(22(26)27)9-11(14)10-13-15(23)18-17(25)19-16(13)24/h3-4,9-10H,2,5-8H2,1H3,(H2,18,19,23,24,25)/p+1