Benzoic acid, 4,5-dimethoxy-2-nitro-, ethyl ester

CAS Registry Number®

100905-33-7

CAS Name

Benzoic acid, 4,5-dimethoxy-2-nitro-, ethyl ester

Molecular Formula

C11H13NO6

Molecular Mass

255.22

Cite this Page

Benzoic acid, 4,5-dimethoxy-2-nitro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100905-33-7 (retrieved 2024-12-19) (CAS RN: 100905-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13NO6/c1-4-18-11(13)7-5-9(16-2)10(17-3)6-8(7)12(14)15/h5-6H,4H2,1-3H3

InChIKey

InChIKey=VNPCXITWHOOQAJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4,5-dimethoxy-2-nitro-, ethyl ester
  • Ethyl 4,5-dimethoxy-2-nitrobenzoate

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