3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]heptan-2-ol

Systemtic Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]heptan-2-ol Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]heptan-2-ol CAS Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]-2-heptanol IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]heptan-2-ol Traditional Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]heptan-2-ol Formula: C14H18F3N3O5 MolecularWeight: 365.30503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(C)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H18F3N3O5/c1-3-4-5-10(8(2)21)18-13-11(19(22)23)6-9(14(15,16)17)7-12(13)20(24)25/h6-8,10,18,21H,3-5H2,1-2H3