1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino]propan-2-ol

Systemtic Name: 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino]propan-2-ol Openeye Name: 1-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]propan-2-ol CAS Name: 1-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]-2-propanol IUPAC Name: 1-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]propan-2-ol Traditional Name: 1-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]propan-2-ol Formula: C13H16F3N3O5 MolecularWeight: 351.27845

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(C)O)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(C)O)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O5/c1-3-4-17(7-8(2)20)12-10(18(21)22)5-9(13(14,15)16)6-11(12)19(23)24/h5-6,8,20H,3-4,7H2,1-2H3