propan-2-yl 3-(2-nitrophenyl)-3-[2-(2-phenoxyethanoylamino)ethanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[2-(2-phenoxyethanoylamino)ethanoylamino]propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoate Traditional Name: 3-(2-nitrophenyl)-3-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propionic acid isopropyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CNC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O7/c1-15(2)32-22(28)12-18(17-10-6-7-11-19(17)25(29)30)24-20(26)13-23-21(27)14-31-16-8-4-3-5-9-16/h3-11,15,18H,12-14H2,1-2H3,(H,23,27)(H,24,26)