methyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: methyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: methyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid methyl ester Formula: C11H5F6N3O4 MolecularWeight: 357.165519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H5F6N3O4/c1-24-9(21)19-7-5(18-8(19)11(15,16)17)2-4(10(12,13)14)3-6(7)20(22)23/h2-3H,1H3