[3-acetyloxy-2-[[3-(1,3-diacetyloxypropan-2-ylcarbamoyl)-5-nitro-phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[[3-(1,3-diacetyloxypropan-2-ylcarbamoyl)-5-nitro-phenyl]carbonylamino]propyl] ethanoate Openeye Name: [3-acetoxy-2-[[3-[[2-acetoxy-1-(acetoxymethyl)ethyl]carbamoyl]-5-nitro-benzoyl]amino]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[[[3-[(1,3-diacetyloxypropan-2-ylamino)-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]propyl] ester IUPAC Name: [3-acetyloxy-2-[[3-(1,3-diacetyloxypropan-2-ylcarbamoyl)-5-nitrobenzoyl]amino]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[[3-[[2-acetoxy-1-(acetoxymethyl)ethyl]carbamoyl]-5-nitro-benzoyl]amino]propyl] ester Formula: C22H27N3O12 MolecularWeight: 525.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(COC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)OCC(COC(=O)C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(COC(=O)C)COC(=O)C

InChI

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