1-(3-azanyl-3-oxidanylidene-propyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-(3-azanyl-3-oxidanylidene-propyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid Openeye Name: 1-(3-amino-3-oxo-propyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid CAS Name: 1-(3-amino-3-oxopropyl)-2-(trifluoromethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-(3-amino-3-oxopropyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid Traditional Name: 1-(3-amino-3-keto-propyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid Formula: C12H10F3N3O3 MolecularWeight: 301.22131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(N2CCC(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(N2CCC(=O)N)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O3/c13-12(14,15)11-17-7-5-6(10(20)21)1-2-8(7)18(11)4-3-9(16)19/h1-2,5H,3-4H2,(H2,16,19)(H,20,21)