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

Systemtic Name: 5-[[2-(4-ethanoylpiperazin-1-yl)-5-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2-(4-acetylpiperazin-1-yl)-5-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(4-acetyl-1-piperazinyl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2-(4-acetylpiperazin-1-yl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-(4-acetylpiperazino)-5-nitro-benzylidene]barbituric acid Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C17H17N5O6/c1-10(23)20-4-6-21(7-5-20)14-3-2-12(22(27)28)8-11(14)9-13-15(24)18-17(26)19-16(13)25/h2-3,8-9H,4-7H2,1H3,(H2,18,19,24,25,26)