5-methyl-4,6-dinitro-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole

Systemtic Name: 5-methyl-4,6-dinitro-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole Openeye Name: 5-methyl-4,6-dinitro-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole CAS Name: 5-methyl-4,6-dinitro-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole IUPAC Name: 5-methyl-4,6-dinitro-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole Traditional Name: 5-methyl-4,6-dinitro-1-[4-(trifluoromethyl)benzyl]benzimidazole Formula: C16H11F3N4O4 MolecularWeight: 380.27815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1[N+](=O)[O-])N=CN2CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1[N+](=O)[O-])N=CN2CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N4O4/c1-9-12(22(24)25)6-13-14(15(9)23(26)27)20-8-21(13)7-10-2-4-11(5-3-10)16(17,18)19/h2-6,8H,7H2,1H3