Methyl 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]benzoate

CAS Registry Number®

886360-57-2
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CAS Name

Methyl 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]benzoate

Molecular Formula

C13H13F3N2O4

Molecular Mass

318.25

Cite this Page

Methyl 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=886360-57-2 (retrieved 2024-09-06) (CAS RN: 886360-57-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13F3N2O4/c1-22-11(20)8-4-2-7(3-5-8)9(6-10(17)19)18-12(21)13(14,15)16/h2-5,9H,6H2,1H3,(H2,17,19)(H,18,21)

InChIKey

InChIKey=SHFZCZSEFVTBMS-UHFFFAOYSA-N

SMILES

C(NC(C(F)(F)F)=O)(CC(N)=O)C1=CC=C(C(OC)=O)C=C1

Canonical SMILES

O=C(OC)C1=CC=C(C=C1)C(NC(=O)C(F)(F)F)CC(=O)N

Other Names for this Substance

  • Benzoic acid, 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]-, methyl ester
  • Benzoic acid, 4-[3-amino-3-oxo-1-[(trifluoroacetyl)amino]propyl]-, methyl ester
  • Methyl 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]benzoate