Compound Identification
SMILES
COCC1=CC(C)=NC(NN=CC2=CC=C(O2)C2=C(Br)C=C(C=C2)[N+]([O-])=O)=C1C#N
InChIKey
InChIKey=IDUBLSMZALPHBT-UHFFFAOYSA-N
Formula
C20H16BrN5O4
Mass
470.283
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
3-pyridinecarbonitriles Nitroaromatic compounds Bromobenzenes Methylpyridines Aryl bromides Imidolactams Furans Heteroaromatic compounds Nitriles Hydrazones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 3-pyridinecarbonitrile - Bromobenzene - Halobenzene - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Hydrazone - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Cyanide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic salt - Hydrocarbon derivative - 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