Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC2=NC(NN=CC3=CN=CC=C3)=NC(OC(C(F)(F)F)C(F)(F)F)=N2)C=C1
InChIKey
InChIKey=SWSPBBPLZSYKBJ-UHFFFAOYSA-N
Formula
C18H12F6N8O3
Mass
502.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Alkoxy-S-triazines Aniline and substituted anilines Nitroaromatic compounds Alkyl aryl ethers Aminotriazines Pyridines and derivatives Heteroaromatic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organofluorides Organic zwitterions Organic salts Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Alkoxy-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Pyridine - Triazine - 1,3,5-triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Secondary amine - Azacycle - Hydrazone - Organic oxoazanium - Organic zwitterion - Organofluoride - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available