hexyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: hexyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: hexyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid hexyl ester IUPAC Name: hexyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid hexyl ester Formula: C16H15F6N3O4 MolecularWeight: 427.298419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])N=C1C(F)(F)F

Isomeric SMILES

CCCCCCOC(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])N=C1C(F)(F)F

InChI

InChI=1S/C16H15F6N3O4/c1-2-3-4-5-6-29-14(26)24-10-7-9(15(17,18)19)8-11(25(27)28)12(10)23-13(24)16(20,21)22/h7-8H,2-6H2,1H3