1-Methylethyl 4-methyl-3-nitrobenzoate

CAS Registry Number®

22913-12-8

CAS Name

1-Methylethyl 4-methyl-3-nitrobenzoate

Molecular Formula

C11H13NO4

Molecular Mass

223.23

Cite this Page

1-Methylethyl 4-methyl-3-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22913-12-8 (retrieved 2024-10-08) (CAS RN: 22913-12-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H13NO4/c1-7(2)16-11(13)9-5-4-8(3)10(6-9)12(14)15/h4-7H,1-3H3

InChIKey

InChIKey=RRJBUFUVPLLLJD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-methyl-3-nitro-, 1-methylethyl ester
  • p-Toluic acid, 3-nitro-, isopropyl ester
  • 1-Methylethyl 4-methyl-3-nitrobenzoate

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