1-Methylethyl 4-nitrobenzenebutanoate

CAS Registry Number®

94086-76-7
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CAS Name

1-Methylethyl 4-nitrobenzenebutanoate

Molecular Formula

C13H17NO4

Molecular Mass

251.28

Cite this Page

1-Methylethyl 4-nitrobenzenebutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94086-76-7 (retrieved 2024-05-20) (CAS RN: 94086-76-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17NO4/c1-10(2)18-13(15)5-3-4-11-6-8-12(9-7-11)14(16)17/h6-10H,3-5H2,1-2H3

InChIKey

InChIKey=WQUVMYDZSHRUNH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC(C)C)CCCC1=CC=C(C=C1)N(=O)=O

Other Names for this Substance

  • Benzenebutanoic acid, 4-nitro-, 1-methylethyl ester
  • 1-Methylethyl 4-nitrobenzenebutanoate

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