Compound Identification
SMILES
[O-][N+](=O)C1=C(NN=CC2=CC=CC=C2F)N=CC=C1
InChIKey
InChIKey=PUBVAQLWKSGNCP-UHFFFAOYSA-N
Formula
C12H9FN4O2
Mass
260.228
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Fluorobenzenes Pyridines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Hydrazone - Organic oxoazanium - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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