[(2S,3S,5S,6R)-6-methoxy-2-methyl-5-(4-nitrophenyl)carbonyloxy-oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3S,5S,6R)-6-methoxy-2-methyl-5-(4-nitrophenyl)carbonyloxy-oxan-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,5S,6R)-6-methoxy-2-methyl-5-(4-nitrobenzoyl)oxy-tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,5S,6R)-6-methoxy-2-methyl-5-[(4-nitrophenyl)-oxomethoxy]-3-oxanyl] ester IUPAC Name: [(2S,3S,5S,6R)-6-methoxy-2-methyl-5-(4-nitrobenzoyl)oxyoxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,5S,6R)-6-methoxy-2-methyl-5-(4-nitrobenzoyl)oxy-tetrahydropyran-3-yl] ester Formula: C21H20N2O10 MolecularWeight: 460.3909

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(O1)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@H](C[C@@H]([C@@H](O1)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O10/c1-12-17(32-19(24)13-3-7-15(8-4-13)22(26)27)11-18(21(30-2)31-12)33-20(25)14-5-9-16(10-6-14)23(28)29/h3-10,12,17-18,21H,11H2,1-2H3/t12-,17-,18-,21+/m0/s1