1-[2-oxidanylidene-4-(1-oxidanylpropan-2-yl)azetidin-3-yl]ethyl 2-(4-nitrophenyl)ethaneperoxoate

Systemtic Name: 1-[2-oxidanylidene-4-(1-oxidanylpropan-2-yl)azetidin-3-yl]ethyl 2-(4-nitrophenyl)ethaneperoxoate Openeye Name: 1-[2-(2-hydroxy-1-methyl-ethyl)-4-oxo-azetidin-3-yl]ethyl 2-(4-nitrophenyl)peroxyacetate CAS Name: 2-(4-nitrophenyl)ethaneperoxoic acid 1-[2-(1-hydroxypropan-2-yl)-4-oxo-3-azetidinyl]ethyl ester IUPAC Name: 1-[2-(1-hydroxypropan-2-yl)-4-oxoazetidin-3-yl]ethyl 2-(4-nitrophenyl)ethaneperoxoate Traditional Name: 2-(4-nitrophenyl)peracetic acid 1-[2-(2-hydroxy-1-methyl-ethyl)-4-keto-azetidin-3-yl]ethyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1C(C(=O)N1)C(C)OOC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CO)C1C(C(=O)N1)C(C)OOC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O7/c1-9(8-19)15-14(16(21)17-15)10(2)24-25-13(20)7-11-3-5-12(6-4-11)18(22)23/h3-6,9-10,14-15,19H,7-8H2,1-2H3,(H,17,21)