[(4-nitrophenyl)-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] methanesulfonate

Systemtic Name: [(4-nitrophenyl)-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] methanesulfonate Openeye Name: [(4-nitrophenyl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] methanesulfonate CAS Name: methanesulfonic acid [(4-nitrophenyl)-[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]methyl] ester IUPAC Name: [(4-nitrophenyl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] methanesulfonate Traditional Name: methanesulfonic acid [[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]-(4-nitrophenyl)methyl] ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C1CCCC(C1=O)N2CCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC(C1CCCC(C1=O)N2CCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O7S/c1-27(24,25)26-17(11-5-7-12(8-6-11)19(22)23)13-3-2-4-14(16(13)21)18-10-9-15(18)20/h5-8,13-14,17H,2-4,9-10H2,1H3