N-[2-nitro-4-(trifluoromethyl)phenyl]adamantan-1-amine

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]adamantan-1-amine Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]adamantan-1-amine CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-1-adamantanamine IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]adamantan-1-amine Traditional Name: 1-adamantyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C17H19F3N2O2 MolecularWeight: 340.34017

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19F3N2O2/c18-17(19,20)13-1-2-14(15(6-13)22(23)24)21-16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,21H,3-5,7-9H2