[2-(diethylamino)-2-oxidanylidene-ethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate CAS Name: 1-methyl-2-(trifluoromethyl)-5-benzimidazolecarboxylic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate Traditional Name: 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C16H18F3N3O3 MolecularWeight: 357.32763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C

InChI

InChI=1S/C16H18F3N3O3/c1-4-22(5-2)13(23)9-25-14(24)10-6-7-12-11(8-10)20-15(21(12)3)16(17,18)19/h6-8H,4-5,9H2,1-3H3