N-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propoxy]phenyl]benzamide

Systemtic Name: N-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propoxy]phenyl]benzamide Openeye Name: N-[4-[2-hydroxy-3-(3-nitrophenoxy)propoxy]phenyl]benzamide CAS Name: N-[4-[2-hydroxy-3-(3-nitrophenoxy)propoxy]phenyl]benzamide IUPAC Name: N-[4-[2-hydroxy-3-(3-nitrophenoxy)propoxy]phenyl]benzamide Traditional Name: N-[4-[2-hydroxy-3-(3-nitrophenoxy)propoxy]phenyl]benzamide Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H20N2O6/c25-19(15-30-21-8-4-7-18(13-21)24(27)28)14-29-20-11-9-17(10-12-20)23-22(26)16-5-2-1-3-6-16/h1-13,19,25H,14-15H2,(H,23,26)