N-(2,5-dimethylphenyl)-2-[2-(2-methanoyl-4-nitro-phenoxy)ethanoyl-methyl-amino]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[2-(2-methanoyl-4-nitro-phenoxy)ethanoyl-methyl-amino]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[2-(2-formyl-4-nitro-phenoxy)acetyl]-methyl-amino]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[2-(2-formyl-4-nitrophenoxy)-1-oxoethyl]-methylamino]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[[2-(2-formyl-4-nitrophenoxy)acetyl]-methylamino]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[2-(2-formyl-4-nitro-phenoxy)acetyl]-methyl-amino]acetamide Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C20H21N3O6/c1-13-4-5-14(2)17(8-13)21-19(25)10-22(3)20(26)12-29-18-7-6-16(23(27)28)9-15(18)11-24/h4-9,11H,10,12H2,1-3H3,(H,21,25)