Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=C(F)C=C(F)C=C2)N=CN=C1NCC1=CC=C(Cl)C=C1
InChIKey
InChIKey=NJXDGFRXBDXGHA-UHFFFAOYSA-N
Formula
C17H12ClF2N5O2
Mass
391.76
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 Benzylamines Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Amines Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aniline or substituted anilines - Benzylamine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organohalogen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - 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