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

Systemtic Name: 5-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-nitro-4-(1-piperidyl)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-nitro-4-piperidino-benzylidene)barbituric acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c21-14-11(15(22)18-16(23)17-14)8-10-4-5-12(13(9-10)20(24)25)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H2,17,18,21,22,23)