[5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] propanoate

Systemtic Name: [5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] propanoate Openeye Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] propanoate CAS Name: propanoic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester IUPAC Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] propanoate Traditional Name: propionic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester Formula: C7H7F6N3O2 MolecularWeight: 279.139799

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C(CN=N1)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC(=O)ON1C(CN=N1)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C7H7F6N3O2/c1-2-4(17)18-16-5(3-14-15-16,6(8,9)10)7(11,12)13/h2-3H2,1H3