N-[4-(1-adamantyl)phenyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [4-(1-adamantyl)phenyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C23H23F3N2O2 MolecularWeight: 416.43613

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H23F3N2O2/c24-23(25,26)18-3-6-20(21(10-18)28(29)30)27-19-4-1-17(2-5-19)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16,27H,7-9,11-13H2