2-bromanylprop-2-enyl 2,5-bis[bis(fluoranyl)methyl]-7-nitro-benzimidazole-1-carboxylate

Systemtic Name: 2-bromanylprop-2-enyl 2,5-bis[bis(fluoranyl)methyl]-7-nitro-benzimidazole-1-carboxylate Openeye Name: 2-bromoallyl 2,5-bis(difluoromethyl)-7-nitro-benzimidazole-1-carboxylate CAS Name: 2,5-bis(difluoromethyl)-7-nitro-1-benzimidazolecarboxylic acid 2-bromoprop-2-enyl ester IUPAC Name: 2-bromoprop-2-enyl 2,5-bis(difluoromethyl)-7-nitrobenzimidazole-1-carboxylate Traditional Name: 2,5-bis(difluoromethyl)-7-nitro-benzimidazole-1-carboxylic acid 2-bromoallyl ester Formula: C13H8BrF4N3O4 MolecularWeight: 426.117933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrF4N3O4/c1-5(14)4-25-13(22)20-9-7(19-12(20)11(17)18)2-6(10(15)16)3-8(9)21(23)24/h2-3,10-11H,1,4H2