[(E)-pent-2-enyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: [(E)-pent-2-enyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: [(E)-pent-2-enyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid [(E)-pent-2-enyl] ester IUPAC Name: [(E)-pent-2-enyl] 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid [(E)-pent-2-enyl] ester Formula: C15H11F6N3O4 MolecularWeight: 411.255959

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCOC(=O)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=C1C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C15H11F6N3O4/c1-2-3-4-5-28-13(25)23-11-9(22-12(23)15(19,20)21)6-8(14(16,17)18)7-10(11)24(26)27/h3-4,6-7H,2,5H2,1H3/b4-3+