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

Systemtic Name: (5E)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(2-hydroxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(2-hydroxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H11N3O5S MolecularWeight: 333.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O5S/c1-2-5-16-13(20)10(12(19)15-14(16)23)7-8-6-9(17(21)22)3-4-11(8)18/h2-4,6-7,18H,1,5H2,(H,15,19,23)/b10-7+