Compound Identification
SMILES
[O-][N+](=O)C1=CC(Br)=[N+]([O-])NC1=O
InChIKey
InChIKey=YBTFUOLPRODSFW-UHFFFAOYSA-N
Formula
C4H2BrN3O4
Mass
235.981
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
-
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
Pyridazinones Aryl bromides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Pyridazinone - Aryl bromide - Aryl halide - Pyridazine - Heteroaromatic compound - Lactam - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organic oxide - 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