N-(3-methylpentan-3-yl)-5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-amine

Systemtic Name: N-(3-methylpentan-3-yl)-5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-amine Openeye Name: N-(1-ethyl-1-methyl-propyl)-5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-amine CAS Name: N-(3-methylpentan-3-yl)-5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-amine IUPAC Name: N-(3-methylpentan-3-yl)-5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-amine Traditional Name: [5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]-(1-ethyl-1-methyl-propyl)amine Formula: C14H16F3N5O4 MolecularWeight: 375.30315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)NC1=C(C=C(C2=C1N=C(N2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)(CC)NC1=C(C=C(C2=C1N=C(N2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16F3N5O4/c1-4-13(3,5-2)20-10-8(22(25)26)6-7(21(23)24)9-11(10)19-12(18-9)14(15,16)17/h6,20H,4-5H2,1-3H3,(H,18,19)