[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 3-nitrobenzoate

Systemtic Name: [3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 3-nitrobenzoate Openeye Name: [3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl] ester IUPAC Name: [3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] ester Formula: C21H24N2O12 MolecularWeight: 496.42146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1C(C(C(OC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H24N2O12/c1-10(24)22-17-19(33-13(4)27)18(32-12(3)26)16(9-31-11(2)25)34-21(17)35-20(28)14-6-5-7-15(8-14)23(29)30/h5-8,16-19,21H,9H2,1-4H3,(H,22,24)