Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=NNC2=NC(=NC(NC3=CC(Br)=CC=C3)=N2)N2CCOCC2)C=C1
InChIKey
InChIKey=OXMDVFVKNUVMQE-UHFFFAOYSA-N
Formula
C20H19BrN8O3
Mass
499.329
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
1,3,5-triazine-2,4-diamines Aniline and substituted anilines Nitroaromatic compounds Dialkylarylamines Bromobenzenes 1,3,5-triazines Aryl bromides Morpholines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Hydrazones Dialkyl ethers Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Morpholine - 1,3,5-triazine - Oxazinane - Triazine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Dialkyl ether - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Hydrazone - Organic zwitterion - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - 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