[2-acetyloxy-3-[[3-(2,3-diacetyloxypropylcarbamoyl)-5-nitro-phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-[[3-(2,3-diacetyloxypropylcarbamoyl)-5-nitro-phenyl]carbonylamino]propyl] ethanoate Openeye Name: [2-acetoxy-3-[[3-(2,3-diacetoxypropylcarbamoyl)-5-nitro-benzoyl]amino]propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[[[3-[(2,3-diacetyloxypropylamino)-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]propyl] ester IUPAC Name: [2-acetyloxy-3-[[3-(2,3-diacetyloxypropylcarbamoyl)-5-nitrobenzoyl]amino]propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-[[3-(2,3-diacetoxypropylcarbamoyl)-5-nitro-benzoyl]amino]propyl] ester Formula: C22H27N3O12 MolecularWeight: 525.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H27N3O12/c1-12(26)34-10-19(36-14(3)28)8-23-21(30)16-5-17(7-18(6-16)25(32)33)22(31)24-9-20(37-15(4)29)11-35-13(2)27/h5-7,19-20H,8-11H2,1-4H3,(H,23,30)(H,24,31)