methyl (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-(2-nitropyridin-3-yl)oxy-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-(2-nitropyridin-3-yl)oxy-oxane-2-carboxylate Openeye Name: methyl (2S,3S,4R,5R)-3,4,5-triacetoxy-2-[(2-nitro-3-pyridyl)oxy]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-[(2-nitro-3-pyridinyl)oxy]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-(2-nitropyridin-3-yl)oxyoxane-2-carboxylate Traditional Name: (2S,3S,4R,5R)-3,4,5-triacetoxy-2-[(2-nitro-3-pyridyl)oxy]tetrahydropyran-2-carboxylic acid methyl ester Formula: C18H20N2O12 MolecularWeight: 456.3576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)(C(=O)OC)OC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)(C(=O)OC)OC2=C(N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O12/c1-9(21)29-13-8-28-18(17(24)27-4,15(31-11(3)23)14(13)30-10(2)22)32-12-6-5-7-19-16(12)20(25)26/h5-7,13-15H,8H2,1-4H3/t13-,14-,15+,18+/m1/s1