1-[2-(2-hydroxyethylsulfonyl)-4-oxidanylidene-azetidin-3-yl]ethyl (4-nitrophenyl)methyl carbonate

Systemtic Name: 1-[2-(2-hydroxyethylsulfonyl)-4-oxidanylidene-azetidin-3-yl]ethyl (4-nitrophenyl)methyl carbonate Openeye Name: 1-[2-(2-hydroxyethylsulfonyl)-4-oxo-azetidin-3-yl]ethyl (4-nitrophenyl)methyl carbonate CAS Name: carbonic acid 1-[2-(2-hydroxyethylsulfonyl)-4-oxo-3-azetidinyl]ethyl (4-nitrophenyl)methyl ester IUPAC Name: 1-[2-(2-hydroxyethylsulfonyl)-4-oxoazetidin-3-yl]ethyl (4-nitrophenyl)methyl carbonate Traditional Name: carbonic acid 1-[2-(2-hydroxyethylsulfonyl)-4-keto-azetidin-3-yl]ethyl (4-nitrobenzyl) ester Formula: C15H18N2O9S MolecularWeight: 402.37642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)S(=O)(=O)CCO)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C1C(NC1=O)S(=O)(=O)CCO)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O9S/c1-9(12-13(19)16-14(12)27(23,24)7-6-18)26-15(20)25-8-10-2-4-11(5-3-10)17(21)22/h2-5,9,12,14,18H,6-8H2,1H3,(H,16,19)