tert-butyl 2-oxidanylidene-5-(trifluoromethyl)-3H-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-5-(trifluoromethyl)-3H-benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-oxo-5-(trifluoromethyl)-3H-benzimidazole-1-carboxylate CAS Name: 2-oxo-5-(trifluoromethyl)-3H-benzimidazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-5-(trifluoromethyl)-3H-benzimidazole-1-carboxylate Traditional Name: 2-keto-5-(trifluoromethyl)-3H-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C13H13F3N2O3 MolecularWeight: 302.24913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(F)(F)F)NC1=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(F)(F)F)NC1=O

InChI

InChI=1S/C13H13F3N2O3/c1-12(2,3)21-11(20)18-9-5-4-7(13(14,15)16)6-8(9)17-10(18)19/h4-6H,1-3H3,(H,17,19)