2-(4-acetamidophenyl)-N-[1-[[3-(2-nitrophenoxy)-2-oxidanyl-propyl]amino]ethyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)-N-[1-[[3-(2-nitrophenoxy)-2-oxidanyl-propyl]amino]ethyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)-N-[1-[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]ethyl]acetamide CAS Name: 2-(4-acetamidophenyl)-N-[1-[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]ethyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)-N-[1-[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]ethyl]acetamide Traditional Name: 2-(4-acetamidophenyl)-N-[1-[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]ethyl]acetamide Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(COC1=CC=CC=C1[N+](=O)[O-])O)NC(=O)CC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(NCC(COC1=CC=CC=C1[N+](=O)[O-])O)NC(=O)CC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H26N4O6/c1-14(23-21(28)11-16-7-9-17(10-8-16)24-15(2)26)22-12-18(27)13-31-20-6-4-3-5-19(20)25(29)30/h3-10,14,18,22,27H,11-13H2,1-2H3,(H,23,28)(H,24,26)