N-[3-nitro-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]ethanamide

Systemtic Name: N-[3-nitro-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]ethanamide Openeye Name: N-[3-nitro-4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]phenyl]acetamide CAS Name: N-[3-nitro-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]acetamide IUPAC Name: N-[3-nitro-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]acetamide Traditional Name: N-[3-nitro-4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]phenyl]acetamide Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O4/c1-15(25)23-17-9-12-20(19(13-17)24(26)27)28-18-10-7-16(8-11-18)22(5,6)14-21(2,3)4/h7-13H,14H2,1-6H3,(H,23,25)