(E)-1-diazonio-1-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(4-oxidanylideneazetidin-2-yl)-3-phenylmethoxy-prop-1-en-2-olate

Systemtic Name: (E)-1-diazonio-1-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(4-oxidanylideneazetidin-2-yl)-3-phenylmethoxy-prop-1-en-2-olate Openeye Name: (E)-3-benzyloxy-1-tert-butoxycarbonyloxy-1-diazonio-3-(4-oxoazetidin-2-yl)prop-1-en-2-olate CAS Name: (E)-1-diazonio-1-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3-(4-oxo-2-azetidinyl)-3-phenylmethoxy-1-propen-2-olate IUPAC Name: (E)-1-diazonio-1-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(4-oxoazetidin-2-yl)-3-phenylmethoxyprop-1-en-2-olate Traditional Name: (E)-3-benzoxy-1-tert-butoxycarbonyloxy-1-diazonio-3-(4-ketoazetidin-2-yl)prop-1-en-2-olate Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC(=C(C(C1CC(=O)N1)OCC2=CC=CC=C2)[O-])[N+]#N

Isomeric SMILES

CC(C)(C)OC(=O)O/C(=C(\C(C1CC(=O)N1)OCC2=CC=CC=C2)/[O-])/[N+]#N

InChI

InChI=1S/C18H21N3O6/c1-18(2,3)27-17(24)26-16(21-19)14(23)15(12-9-13(22)20-12)25-10-11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H-,20,22,23)/b16-14+