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

Systemtic Name: (5E)-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-allyl-5-[(4-morpholino-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-allyl-5-(4-morpholino-3-nitro-benzylidene)barbituric acid Formula: C18H18N4O6 MolecularWeight: 386.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])/C(=O)NC1=O

InChI

InChI=1S/C18H18N4O6/c1-2-5-21-17(24)13(16(23)19-18(21)25)10-12-3-4-14(15(11-12)22(26)27)20-6-8-28-9-7-20/h2-4,10-11H,1,5-9H2,(H,19,23,25)/b13-10+