butyl 4-[2-[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoyloxy]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoyloxy]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(4-chloro-3-nitro-benzoyl)amino]acetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(4-chloro-3-nitrobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4-chloro-3-nitro-benzoyl)amino]acetyl]oxyacetyl]amino]benzoic acid butyl ester Formula: C22H22ClN3O8 MolecularWeight: 491.87838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O8/c1-2-3-10-33-22(30)14-4-7-16(8-5-14)25-19(27)13-34-20(28)12-24-21(29)15-6-9-17(23)18(11-15)26(31)32/h4-9,11H,2-3,10,12-13H2,1H3,(H,24,29)(H,25,27)