Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(F)=C1)C(=O)C(=C\C=C\C1=CC=C(Br)C=C1)\N1C=CN=C1
InChIKey
InChIKey=RLIFCRHKNFYPRD-WMXJQNAUSA-N
Formula
C20H13BrFN3O3
Mass
442.244
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
Styrenes Aryl ketones Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Fluorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Aryl fluorides N-substituted imidazoles Acryloyl compounds Enones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organonitrogen compounds Organic salts Organobromides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Styrene - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - N-substituted imidazole - Imidazole - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Acryloyl-group - Azole - Enone - C-nitro compound - Ketone - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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