1-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid Openeye Name: 1-(2-amino-1-methyl-2-oxo-ethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid CAS Name: 1-(1-amino-1-oxopropan-2-yl)-2-(trifluoromethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-(1-amino-1-oxopropan-2-yl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid Traditional Name: 1-(2-amino-2-keto-1-methyl-ethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid Formula: C12H10F3N3O3 MolecularWeight: 301.22131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C2=C(C=C(C=C2)C(=O)O)N=C1C(F)(F)F

Isomeric SMILES

CC(C(=O)N)N1C2=C(C=C(C=C2)C(=O)O)N=C1C(F)(F)F

InChI

InChI=1S/C12H10F3N3O3/c1-5(9(16)19)18-8-3-2-6(10(20)21)4-7(8)17-11(18)12(13,14)15/h2-5H,1H3,(H2,16,19)(H,20,21)