Compound Identification
SMILES
CNC1=NC(NC2=CC(Cl)=C(F)C=C2)=NC=C1[N+]([O-])=O
InChIKey
InChIKey=FXXLOHIOZJCCQK-UHFFFAOYSA-N
Formula
C11H9ClFN5O2
Mass
297.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides Organopnictogen compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Nitroaromatic compound - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Aryl chloride - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic oxide - Organohalogen compound - Organic salt - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available