N-[2-[(2-nitrophenyl)amino]ethyl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide

Systemtic Name: N-[2-[(2-nitrophenyl)amino]ethyl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[2-(2-nitroanilino)ethyl]acetamide CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[2-(2-nitroanilino)ethyl]acetamide IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[2-(2-nitroanilino)ethyl]acetamide Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[2-(2-nitroanilino)ethyl]acetamide Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)NCCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)NCCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4/c24-18(22-6-5-21-16-3-1-2-4-17(16)23(26)27)12-19-8-14-7-15(9-19)11-20(25,10-14)13-19/h1-4,14-15,21,25H,5-13H2,(H,22,24)/t14-,15+,19?,20?