[(1E)-buta-1,3-dienyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: [(1E)-buta-1,3-dienyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: [(1E)-buta-1,3-dienyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid [(1E)-buta-1,3-dienyl] ester IUPAC Name: [(1E)-buta-1,3-dienyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid [(1E)-buta-1,3-dienyl] ester Formula: C14H7F6N3O4 MolecularWeight: 395.213499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C/C=C/OC(=O)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=C1C(F)(F)F

InChI

InChI=1S/C14H7F6N3O4/c1-2-3-4-27-12(24)22-10-8(21-11(22)14(18,19)20)5-7(13(15,16)17)6-9(10)23(25)26/h2-6H,1H2/b4-3+