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

Systemtic Name: 1,3-dimethyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(4-morpholino-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(4-morpholino-3-nitro-benzylidene)barbituric acid Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C17H18N4O6/c1-18-15(22)12(16(23)19(2)17(18)24)9-11-3-4-13(14(10-11)21(25)26)20-5-7-27-8-6-20/h3-4,9-10H,5-8H2,1-2H3