Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester

CAS Registry Number®

5081-42-5

CAS Name

Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester

Molecular Formula

C11H13NO7

Molecular Mass

271.22

Cite this Page

Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5081-42-5 (retrieved 2024-11-21) (CAS RN: 5081-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    67 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3

InChIKey

InChIKey=HCEIEWYPDCDNNU-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(OC)C(OC)=C(OC)C=C1C(OC)=O

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester
  • Methyl 3,4,5-trimethoxy-2-nitrobenzoate
  • 2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester
  • NSC 20282
  • Methyl 2-nitro-3,4,5-trimethoxybenzoate

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CAS INSIGHTSTM
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