2-[5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]hexanoic acid

Systemtic Name: 2-[5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]hexanoic acid Openeye Name: 2-[5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]hexanoic acid CAS Name: 2-[5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]hexanoic acid IUPAC Name: 2-[5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]hexanoic acid Traditional Name: 2-[5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]hexanoic acid Formula: C14H13F3N4O6 MolecularWeight: 390.27143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C2C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCC(C1=C2C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H13F3N4O6/c1-2-3-4-6(12(22)23)9-7(20(24)25)5-8(21(26)27)10-11(9)19-13(18-10)14(15,16)17/h5-6H,2-4H2,1H3,(H,18,19)(H,22,23)