1,3-Dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate

CAS Registry Number®

860788-98-3
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CAS Name

1,3-Dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate

Molecular Formula

C13H12F3NO6

Molecular Mass

335.23

Cite this Page

1,3-Dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=860788-98-3 (retrieved 2024-08-24) (CAS RN: 860788-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12F3NO6/c1-12(10(18)22-2,11(19)23-3)8-5-4-7(13(14,15)16)6-9(8)17(20)21/h4-6H,1-3H3

InChIKey

InChIKey=ZAQRNZJJAFYHPJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanedioic acid, 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-, 1,3-dimethyl ester
  • Propanedioic acid, methyl[2-nitro-4-(trifluoromethyl)phenyl]-, dimethyl ester
  • 1,3-Dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate