Compound Identification
SMILES
COCC1=C(C#N)C(OCC(=O)NN=CC2=CC=C(O2)C2=C(C)C=CC(=C2)[N+]([O-])=O)=NC(C)=C1Br
InChIKey
InChIKey=HUCLRXQOSDGDDP-UHFFFAOYSA-N
Formula
C23H20BrN5O6
Mass
542.346
Taxonomic Classification
Taxonomy Tree
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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
Nitrotoluenes 3-pyridinecarbonitriles Nitroaromatic compounds Alkyl aryl ethers Methylpyridines Aryl bromides Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Nitriles Organic oxoazanium compounds Organobromides Organic zwitterions Hydrocarbon derivatives Organic salts Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - 3-pyridinecarbonitrile - Alkyl aryl ether - Methylpyridine - Toluene - Aryl bromide - Aryl halide - Pyridine - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Cyanide - Organopnictogen compound - Carbonyl group - Organic salt - Organic oxide - 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