N-(1-adamantyl)-2-(2-chloranyl-4-nitro-phenoxy)-N-(2-cyanoethyl)ethanamide

Systemtic Name: N-(1-adamantyl)-2-(2-chloranyl-4-nitro-phenoxy)-N-(2-cyanoethyl)ethanamide Openeye Name: N-(1-adamantyl)-2-(2-chloro-4-nitro-phenoxy)-N-(2-cyanoethyl)acetamide CAS Name: N-(1-adamantyl)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanoethyl)acetamide IUPAC Name: N-(1-adamantyl)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanoethyl)acetamide Traditional Name: N-(1-adamantyl)-2-(2-chloro-4-nitro-phenoxy)-N-(2-cyanoethyl)acetamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4/c22-18-9-17(25(27)28)2-3-19(18)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