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

Systemtic Name: 1-(furan-2-ylmethyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-furylmethyl)-5-[(4-hydroxy-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-furanylmethyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(furan-2-ylmethyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-furfuryl)-5-(4-hydroxy-3-nitro-benzylidene)barbituric acid Formula: C16H11N3O7 MolecularWeight: 357.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C16H11N3O7/c20-13-4-3-9(7-12(13)19(24)25)6-11-14(21)17-16(23)18(15(11)22)8-10-2-1-5-26-10/h1-7,20H,8H2,(H,17,21,23)