2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-pentyl-amino]ethanol

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-pentyl-amino]ethanol Openeye Name: 2-[2,6-dinitro-N-pentyl-4-(trifluoromethyl)anilino]ethanol CAS Name: 2-[2,6-dinitro-N-pentyl-4-(trifluoromethyl)anilino]ethanol IUPAC Name: 2-[2,6-dinitro-N-pentyl-4-(trifluoromethyl)anilino]ethanol Traditional Name: 2-[N-amyl-2,6-dinitro-4-(trifluoromethyl)anilino]ethanol Formula: C14H18F3N3O5 MolecularWeight: 365.30503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCO)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CCO)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H18F3N3O5/c1-2-3-4-5-18(6-7-21)13-11(19(22)23)8-10(14(15,16)17)9-12(13)20(24)25/h8-9,21H,2-7H2,1H3