1-(10,11-Dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)ethanone

CAS Registry Number®

79752-04-8
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CAS Name

1-(10,11-Dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)ethanone

Molecular Formula

C16H13N3O5

Molecular Mass

327.29

Cite this Page

1-(10,11-Dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79752-04-8 (retrieved 2024-08-06) (CAS RN: 79752-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-208 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H13N3O5/c1-10(20)17-15-8-13(18(21)22)6-4-11(15)2-3-12-5-7-14(19(23)24)9-16(12)17/h4-9H,2-3H2,1H3

InChIKey

InChIKey=MGSZTIMBTHAAPQ-UHFFFAOYSA-N

SMILES

C(C)(=O)N1C=2C(CCC=3C1=CC(N(=O)=O)=CC3)=CC=C(N(=O)=O)C2

Canonical SMILES

O=C(N1C2=CC(=CC=C2CCC3=CC=C(C=C31)N(=O)=O)N(=O)=O)C

Other Names for this Substance

  • Ethanone, 1-(10,11-dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)-
  • 5H-Dibenz[b,f]azepine, 5-acetyl-10,11-dihydro-3,7-dinitro-
  • 1-(10,11-Dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)ethanone
  • 1-(3,7-Dinitro-10,11-Dihydro-5H-Dibenzo[B,F]Azepin-5-Yl)Ethanone