propan-2-yl 3-(2-nitrophenyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoate Traditional Name: 3-(2-nitrophenyl)-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]propionic acid isopropyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-13(2)30-20(25)11-17(16-5-3-4-6-18(16)23(28)29)21-19(24)12-31-15-9-7-14(8-10-15)22(26)27/h3-10,13,17H,11-12H2,1-2H3,(H,21,24)