1-(4-Nitrobenzoyl)-1H-benzotriazole

CAS Registry Number®

4231-71-4

CAS Name

1-(4-Nitrobenzoyl)-1H-benzotriazole

Molecular Formula

C13H8N4O3

Molecular Mass

268.23

Cite this Page

1-(4-Nitrobenzoyl)-1H-benzotriazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4231-71-4 (retrieved 2024-11-24) (CAS RN: 4231-71-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H8N4O3/c18-13(9-5-7-10(8-6-9)17(19)20)16-12-4-2-1-3-11(12)14-15-16/h1-8H

InChIKey

InChIKey=QVSHSQXCFXHFMN-UHFFFAOYSA-N

SMILES

C(=O)(N1C=2C(N=N1)=CC=CC2)C3=CC=C(N(=O)=O)C=C3

Canonical SMILES

O=C(C1=CC=C(C=C1)N(=O)=O)N2N=NC=3C=CC=CC32

Other Names for this Substance

  • Methanone, 1H-benzotriazol-1-yl(4-nitrophenyl)-
  • 1H-Benzotriazole, 1-(p-nitrobenzoyl)-
  • 1H-Benzotriazole, 1-(4-nitrobenzoyl)-
  • 1H-Benzotriazol-1-yl(4-nitrophenyl)methanone
  • 1-(4-Nitrobenzoyl)-1H-benzotriazole

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