Compound Identification
SMILES
CC1=C(C)C=C(NC2=NC(NNC=C3C=C(C=C(Br)C3=O)[N+]([O-])=O)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1
InChIKey
InChIKey=AVXYYIZOMKAQPQ-UHFFFAOYSA-N
Formula
C24H20BrN9O5
Mass
594.386
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
o-Xylenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Nitroaromatic compounds O-quinomethanes 1,3,5-triazines Vinylogous amides Alpha-haloketones Heteroaromatic compounds Vinyl bromides Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Bromoalkenes Organic oxoazanium compounds Organic zwitterions Hydrazines and derivatives Hydrocarbon derivatives Organic salts Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Quinomethane - O-xylene - Xylene - O-quinomethane - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Vinylogous amide - Alpha-haloketone - Heteroaromatic compound - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Azacycle - Bromoalkene - Organic oxoazanium - Haloalkene - Secondary amine - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrazine derivative - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Amine - Organic nitrogen compound - Organohalogen compound - 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