Secondary metabolite:2,4-dinitro-N-[(Z)-1-thiophen-2-ylprop-2-ynylideneamino]aniline



EOCID001193
Summary

sCentInDB Chemical identifier: EOCID001193

Chemical name: 2,4-dinitro-N-[(Z)-1-thiophen-2-ylprop-2-ynylideneamino]aniline

Molecular formula: C13H8N4O4S

SMILES: C#C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/c1cccs1

InChI: InChI=1S/C13H8N4O4S/c1-2-10(13-4-3-7-22-13)14-15-11-6-5-9(16(18)19)8-12(11)17(20)21/h1,3-8,15H/b14-10-

InChIKey: RVKOTONVDSZJBJ-UVTDQMKNSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Nitrobenzenes


Synonymous chemical name(s):
1-(2-thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone


External chemical identifier(s):
CID:5378860


Chemical structure download

2D:
2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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