N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(4-phenylazanylphenoxy)ethanamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(4-phenylazanylphenoxy)ethanamide Openeye Name: 2-(4-anilinophenoxy)-N-[(2-hydroxy-5-nitro-phenyl)methyl]acetamide CAS Name: 2-(4-anilinophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide IUPAC Name: 2-(4-anilinophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide Traditional Name: 2-(4-anilinophenoxy)-N-(2-hydroxy-5-nitro-benzyl)acetamide Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H19N3O5/c25-20-11-8-18(24(27)28)12-15(20)13-22-21(26)14-29-19-9-6-17(7-10-19)23-16-4-2-1-3-5-16/h1-12,23,25H,13-14H2,(H,22,26)