(E)-5-(3-azido-4-oxidanylidene-azetidin-2-yl)-2-diazonio-1-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-pent-1-en-1-olate

Systemtic Name: (E)-5-(3-azido-4-oxidanylidene-azetidin-2-yl)-2-diazonio-1-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-pent-1-en-1-olate Openeye Name: (E)-5-(3-azido-4-oxo-azetidin-2-yl)-1-tert-butoxy-2-diazonio-3-oxo-pent-1-en-1-olate CAS Name: (E)-5-(3-azido-4-oxo-2-azetidinyl)-2-diazonio-1-[(2-methylpropan-2-yl)oxy]-3-oxo-1-penten-1-olate IUPAC Name: (E)-5-(3-azido-4-oxoazetidin-2-yl)-2-diazonio-1-[(2-methylpropan-2-yl)oxy]-3-oxopent-1-en-1-olate Traditional Name: (E)-5-(3-azido-4-keto-azetidin-2-yl)-1-tert-butoxy-2-diazonio-3-keto-pent-1-en-1-olate Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=C(C(=O)CCC1C(C(=O)N1)N=[N+]=[N-])[N+]#N)[O-]

Isomeric SMILES

CC(C)(C)O/C(=C(\C(=O)CCC1C(C(=O)N1)N=[N+]=[N-])/[N+]#N)/[O-]

InChI

InChI=1S/C12H16N6O4/c1-12(2,3)22-11(21)9(16-13)7(19)5-4-6-8(17-18-14)10(20)15-6/h6,8H,4-5H2,1-3H3,(H-,15,19,20,21)