2,2,2-tris(fluoranyl)ethyl 5-(benzotriazol-1-yl)-5-oxidanylidene-pentanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 5-(benzotriazol-1-yl)-5-oxidanylidene-pentanoate Openeye Name: 2,2,2-trifluoroethyl 5-(benzotriazol-1-yl)-5-oxo-pentanoate CAS Name: 5-(1-benzotriazolyl)-5-oxopentanoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 5-(benzotriazol-1-yl)-5-oxopentanoate Traditional Name: 5-(benzotriazol-1-yl)-5-keto-valeric acid 2,2,2-trifluoroethyl ester Formula: C13H12F3N3O3 MolecularWeight: 315.24789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)CCCC(=O)OCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)CCCC(=O)OCC(F)(F)F

InChI

InChI=1S/C13H12F3N3O3/c14-13(15,16)8-22-12(21)7-3-6-11(20)19-10-5-2-1-4-9(10)17-18-19/h1-2,4-5H,3,6-8H2