2,2,3,3,3-pentakis(fluoranyl)propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate

Systemtic Name: 2,2,3,3,3-pentakis(fluoranyl)propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate Openeye Name: 2,2,3,3,3-pentafluoropropyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid 2,2,3,3,3-pentafluoropropyl ester IUPAC Name: 2,2,3,3,3-pentafluoropropyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-carboxylic acid 2,2,3,3,3-pentafluoropropyl ester Formula: C13H10F5N3O4 MolecularWeight: 367.228216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)OCC(C(F)(F)F)(F)F

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)OCC(C(F)(F)F)(F)F

InChI

InChI=1S/C13H10F5N3O4/c1-24-11(23)21-10-19-7-3-2-6(4-8(7)20-10)9(22)25-5-12(14,15)13(16,17)18/h2-4H,5H2,1H3,(H2,19,20,21,23)