N-[2,6-Dinitro-4-(trifluoromethyl)phenyl]glycine 1-methylethyl ester

CAS Registry Number®

1949836-93-4
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CAS Name

N-[2,6-Dinitro-4-(trifluoromethyl)phenyl]glycine 1-methylethyl ester

Molecular Formula

C12H12F3N3O6

Molecular Mass

351.24

Cite this Page

N-[2,6-Dinitro-4-(trifluoromethyl)phenyl]glycine 1-methylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1949836-93-4 (retrieved 2024-08-23) (CAS RN: 1949836-93-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12F3N3O6/c1-6(2)24-10(19)5-16-11-8(17(20)21)3-7(12(13,14)15)4-9(11)18(22)23/h3-4,6,16H,5H2,1-2H3

InChIKey

InChIKey=QHPSFQQASBMXOE-UHFFFAOYSA-N

SMILES

N(CC(OC(C)C)=O)C1=C(N(=O)=O)C=C(C(F)(F)F)C=C1N(=O)=O

Canonical SMILES

O=C(OC(C)C)CNC1=C(C=C(C=C1N(=O)=O)C(F)(F)F)N(=O)=O

Other Names for this Substance

  • Glycine, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-, 1-methylethyl ester
  • N-[2,6-Dinitro-4-(trifluoromethyl)phenyl]glycine 1-methylethyl ester