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

Systemtic Name: 1,3-dimethyl-5-[(5-nitro-2-piperidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[[5-nitro-2-(1-piperidyl)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[5-nitro-2-(1-piperidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(5-nitro-2-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(5-nitro-2-piperidino-benzylidene)barbituric acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)N(C1=O)C

InChI

InChI=1S/C18H20N4O5/c1-19-16(23)14(17(24)20(2)18(19)25)11-12-10-13(22(26)27)6-7-15(12)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3