N-(1-adamantyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

Systemtic Name: N-(1-adamantyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide Openeye Name: N-(1-adamantyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide CAS Name: N-(1-adamantyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide IUPAC Name: N-(1-adamantyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide Traditional Name: N-(1-adamantyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide Formula: C24H23F3N2O4 MolecularWeight: 460.44563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H23F3N2O4/c25-24(26,27)17-5-6-21(19(10-17)29(31)32)33-20-4-2-1-3-18(20)22(30)28-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,28,30)