[2-(hydroxymethyl)-6-methoxy-5-(4-nitrophenyl)carbonyloxy-4-oxidanyl-oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(hydroxymethyl)-6-methoxy-5-(4-nitrophenyl)carbonyloxy-4-oxidanyl-oxan-3-yl] 4-nitrobenzoate Openeye Name: [4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(4-nitrobenzoyl)oxy-tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(4-nitrophenyl)-oxomethoxy]-3-oxanyl] ester IUPAC Name: [4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(4-nitrobenzoyl)oxyoxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-hydroxy-6-methoxy-2-methylol-5-(4-nitrobenzoyl)oxy-tetrahydropyran-3-yl] ester Formula: C21H20N2O12 MolecularWeight: 492.3897

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CO)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1C(C(C(C(O1)CO)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O12/c1-32-21-18(35-20(27)12-4-8-14(9-5-12)23(30)31)16(25)17(15(10-24)33-21)34-19(26)11-2-6-13(7-3-11)22(28)29/h2-9,15-18,21,24-25H,10H2,1H3