1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, methyl ester

CAS Registry Number®

5453-86-1
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CAS Name

1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, methyl ester

Molecular Formula

C9H6N2O5

Molecular Mass

222.15

Cite this Page

1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5453-86-1 (retrieved 2024-07-08) (CAS RN: 5453-86-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O5/c1-15-9(12)8-6-3-2-5(11(13)14)4-7(6)16-10-8/h2-4H,1H3

InChIKey

InChIKey=RDAMDINPNCIMJD-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C=2C(=CC(N(=O)=O)=CC2)ON1

Canonical SMILES

O=C(OC)C1=NOC=2C=C(C=CC21)N(=O)=O

Other Names for this Substance

  • 1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, methyl ester
  • NSC 18904
  • Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate