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

Systemtic Name: ethyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: ethyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid ethyl ester Formula: C12H7F6N3O4 MolecularWeight: 371.192099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F6N3O4/c1-2-25-10(22)20-6-3-5(11(13,14)15)4-7(21(23)24)8(6)19-9(20)12(16,17)18/h3-4H,2H2,1H3