2-[2-(2-hydroxyethyl)-4-oxidanylidene-azetidin-3-yl]propan-2-yl (4-nitrophenyl)methyl carbonate

Systemtic Name: 2-[2-(2-hydroxyethyl)-4-oxidanylidene-azetidin-3-yl]propan-2-yl (4-nitrophenyl)methyl carbonate Openeye Name: [1-[2-(2-hydroxyethyl)-4-oxo-azetidin-3-yl]-1-methyl-ethyl] (4-nitrophenyl)methyl carbonate CAS Name: carbonic acid 2-[2-(2-hydroxyethyl)-4-oxo-3-azetidinyl]propan-2-yl (4-nitrophenyl)methyl ester IUPAC Name: 2-[2-(2-hydroxyethyl)-4-oxoazetidin-3-yl]propan-2-yl (4-nitrophenyl)methyl carbonate Traditional Name: carbonic acid [1-[2-(2-hydroxyethyl)-4-keto-azetidin-3-yl]-1-methyl-ethyl] (4-nitrobenzyl) ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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