methyl 5-nitro-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-benzoate

Systemtic Name: methyl 5-nitro-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-benzoate Openeye Name: methyl 5-nitro-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 5-nitro-2-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 5-nitro-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid methyl ester Formula: C22H25NO14 MolecularWeight: 527.4322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H25NO14/c1-10(24)32-9-17-18(33-11(2)25)19(34-12(3)26)20(35-13(4)27)22(37-17)36-16-7-6-14(23(29)30)8-15(16)21(28)31-5/h6-8,17-20,22H,9H2,1-5H3