N-(1-adamantyl)-N-(2-cyanoethyl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(5-fluoro-2-nitro-phenoxy)acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(5-fluoro-2-nitro-phenoxy)acetamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O4/c22-17-2-3-18(25(27)28)19(9-17)29-13-20(26)24(5-1-4-23)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,1,5-8,10-13H2