methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)-2-nitro-phenoxy]oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)-2-nitro-phenoxy]oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[4-(hydroxymethyl)-2-nitro-phenoxy]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)-2-nitrophenoxy]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)-2-nitrophenoxy]oxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-(4-methylol-2-nitro-phenoxy)tetrahydropyran-2-carboxylic acid methyl ester Formula: C20H23NO13 MolecularWeight: 485.39552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=C(C=C(C=C2)CO)[N+](=O)[O-])C(=O)OC)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO13/c1-9(23)30-15-16(31-10(2)24)18(32-11(3)25)20(34-17(15)19(26)29-4)33-14-6-5-12(8-22)7-13(14)21(27)28/h5-7,15-18,20,22H,8H2,1-4H3/t15-,16-,17-,18+,20+/m0/s1