N-[2-[3-(2-acetamido-4-nitro-phenoxy)-2-oxidanyl-propoxy]-5-nitro-phenyl]ethanamide

Systemtic Name: N-[2-[3-(2-acetamido-4-nitro-phenoxy)-2-oxidanyl-propoxy]-5-nitro-phenyl]ethanamide Openeye Name: N-[2-[3-(2-acetamido-4-nitro-phenoxy)-2-hydroxy-propoxy]-5-nitro-phenyl]acetamide CAS Name: N-[2-[3-(2-acetamido-4-nitrophenoxy)-2-hydroxypropoxy]-5-nitrophenyl]acetamide IUPAC Name: N-[2-[3-(2-acetamido-4-nitrophenoxy)-2-hydroxypropoxy]-5-nitrophenyl]acetamide Traditional Name: N-[2-[3-(2-acetamido-4-nitro-phenoxy)-2-hydroxy-propoxy]-5-nitro-phenyl]acetamide Formula: C19H20N4O9 MolecularWeight: 448.3835

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCC(COC2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCC(COC2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C)O

InChI

InChI=1S/C19H20N4O9/c1-11(24)20-16-7-13(22(27)28)3-5-18(16)31-9-15(26)10-32-19-6-4-14(23(29)30)8-17(19)21-12(2)25/h3-8,15,26H,9-10H2,1-2H3,(H,20,24)(H,21,25)