(E)-7-azido-2-diazonio-3-oxidanylidene-4-(2-oxidanylideneazetidin-1-yl)-1-prop-2-enoxy-hept-1-en-1-olate

Systemtic Name: (E)-7-azido-2-diazonio-3-oxidanylidene-4-(2-oxidanylideneazetidin-1-yl)-1-prop-2-enoxy-hept-1-en-1-olate Openeye Name: (E)-1-allyloxy-7-azido-2-diazonio-3-oxo-4-(2-oxoazetidin-1-yl)hept-1-en-1-olate CAS Name: (E)-7-azido-2-diazonio-3-oxo-4-(2-oxo-1-azetidinyl)-1-prop-2-enoxy-1-hepten-1-olate IUPAC Name: (E)-7-azido-2-diazonio-3-oxo-4-(2-oxoazetidin-1-yl)-1-prop-2-enoxyhept-1-en-1-olate Traditional Name: (E)-1-allyloxy-7-azido-2-diazonio-3-keto-4-(2-ketoazetidin-1-yl)hept-1-en-1-olate Formula: C13H16N6O4 MolecularWeight: 320.30394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=C(C(=O)C(CCCN=[N+]=[N-])N1CCC1=O)[N+]#N)[O-]

Isomeric SMILES

C=CCO/C(=C(\C(=O)C(CCCN=[N+]=[N-])N1CCC1=O)/[N+]#N)/[O-]

InChI

InChI=1S/C13H16N6O4/c1-2-8-23-13(22)11(17-14)12(21)9(4-3-6-16-18-15)19-7-5-10(19)20/h2,9H,1,3-8H2