3,4,5-triacetyloxy-6-[2-(methylamino)-4-nitro-phenoxy]oxane-2-carboxylic acid

Systemtic Name: 3,4,5-triacetyloxy-6-[2-(methylamino)-4-nitro-phenoxy]oxane-2-carboxylic acid Openeye Name: 3,4,5-triacetoxy-6-[2-(methylamino)-4-nitro-phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-triacetyloxy-6-[2-(methylamino)-4-nitrophenoxy]-2-oxanecarboxylic acid IUPAC Name: 3,4,5-triacetyloxy-6-[2-(methylamino)-4-nitrophenoxy]oxane-2-carboxylic acid Traditional Name: 3,4,5-triacetoxy-6-[2-(methylamino)-4-nitro-phenoxy]tetrahydropyran-2-carboxylic acid Formula: C19H22N2O12 MolecularWeight: 470.38418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O12/c1-8(22)29-14-15(30-9(2)23)17(31-10(3)24)19(33-16(14)18(25)26)32-13-6-5-11(21(27)28)7-12(13)20-4/h5-7,14-17,19-20H,1-4H3,(H,25,26)