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

Systemtic Name: 5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 1-allyl-5-[(4-hydroxy-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-allyl-5-(4-hydroxy-3-nitro-benzylidene)barbituric acid Formula: C14H11N3O6 MolecularWeight: 317.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c1-2-5-16-13(20)9(12(19)15-14(16)21)6-8-3-4-11(18)10(7-8)17(22)23/h2-4,6-7,18H,1,5H2,(H,15,19,21)