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

Systemtic Name: (E)-4-(3-bromanyl-4-oxidanylidene-azetidin-2-yl)-2-diazonio-1,5-bis[(2-methylpropan-2-yl)oxy]-3,5-bis(oxidanylidene)pent-1-en-1-olate Openeye Name: (E)-4-(3-bromo-4-oxo-azetidin-2-yl)-1,5-ditert-butoxy-2-diazonio-3,5-dioxo-pent-1-en-1-olate CAS Name: (E)-4-(3-bromo-4-oxo-2-azetidinyl)-2-diazonio-1,5-bis[(2-methylpropan-2-yl)oxy]-3,5-dioxo-1-penten-1-olate IUPAC Name: (E)-4-(3-bromo-4-oxoazetidin-2-yl)-2-diazonio-1,5-bis[(2-methylpropan-2-yl)oxy]-3,5-dioxopent-1-en-1-olate Traditional Name: (E)-4-(3-bromo-4-keto-azetidin-2-yl)-1,5-ditert-butoxy-2-diazonio-3,5-diketo-pent-1-en-1-olate Formula: C16H22BrN3O6 MolecularWeight: 432.26638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1C(C(=O)N1)Br)C(=O)C(=C([O-])OC(C)(C)C)[N+]#N

Isomeric SMILES

CC(C)(C)OC(=O)C(C1C(C(=O)N1)Br)C(=O)/C(=C(/[O-])\OC(C)(C)C)/[N+]#N

InChI

InChI=1S/C16H22BrN3O6/c1-15(2,3)25-13(23)7(9-8(17)12(22)19-9)11(21)10(20-18)14(24)26-16(4,5)6/h7-9H,1-6H3,(H-,19,21,22,24)