Compound Identification
SMILES
COCC1=CC(C)=[NH+]C(OCC(=O)NN=CC2=CC(=C([O-])C(I)=C2)[N+]([O-])=O)=C1C#N
InChIKey
InChIKey=KYMFDJDHWXWXSZ-UHFFFAOYSA-N
Formula
C18H16IN5O6
Mass
525.259
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
3-pyridinecarbonitriles Nitroaromatic compounds Phenoxides Alkyl aryl ethers Iodobenzenes Methylpyridines Pyridinium derivatives Aryl iodides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organic oxoazanium compounds Nitriles Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides Organoiodides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 3-pyridinecarbonitrile - Alkyl aryl ether - Halobenzene - Iodobenzene - Phenoxide - Methylpyridine - Aryl halide - Aryl iodide - Pyridine - Pyridinium - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - 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