N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: 3-hydroxy-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]adamantane-1-carboxamide CAS Name: 3-hydroxy-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-adamantanecarboxamide IUPAC Name: 3-hydroxy-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]adamantane-1-carboxamide Traditional Name: 3-hydroxy-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]adamantane-1-carboxamide Formula: C20H24F3N3O4 MolecularWeight: 427.41747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24F3N3O4/c21-20(22,23)14-1-2-15(16(6-14)26(29)30)24-3-4-25-17(27)18-7-12-5-13(8-18)10-19(28,9-12)11-18/h1-2,6,12-13,24,28H,3-5,7-11H2,(H,25,27)