1,1-Dimethylethyl 4-(1,1-dimethylethoxy)-3-nitrobenzoate

CAS Registry Number®

1951440-96-2

CAS Name

1,1-Dimethylethyl 4-(1,1-dimethylethoxy)-3-nitrobenzoate

Molecular Formula

C15H21NO5

Molecular Mass

295.33

Cite this Page

1,1-Dimethylethyl 4-(1,1-dimethylethoxy)-3-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1951440-96-2 (retrieved 2024-12-19) (CAS RN: 1951440-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H21NO5/c1-14(2,3)20-12-8-7-10(9-11(12)16(18)19)13(17)21-15(4,5)6/h7-9H,1-6H3

InChIKey

InChIKey=ZEMPJOPTZVBAET-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(1,1-dimethylethoxy)-3-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(1,1-dimethylethoxy)-3-nitrobenzoate

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.