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

Systemtic Name: 5,7-dinitro-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)-1H-benzimidazol-4-amine Openeye Name: 5,7-dinitro-N-(1,1,3,3-tetramethylbutyl)-2-(trifluoromethyl)-1H-benzimidazol-4-amine CAS Name: 5,7-dinitro-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)-1H-benzimidazol-4-amine IUPAC Name: 5,7-dinitro-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)-1H-benzimidazol-4-amine Traditional Name: [5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]-(1,1,3,3-tetramethylbutyl)amine Formula: C16H20F3N5O4 MolecularWeight: 403.35631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3N5O4/c1-14(2,3)7-15(4,5)22-11-9(24(27)28)6-8(23(25)26)10-12(11)21-13(20-10)16(17,18)19/h6,22H,7H2,1-5H3,(H,20,21)