Compound Identification
SMILES
[I-].C[N+]1(CCC(C=CC2=CC=C(C=C2)[N+]([O-])=O)=NO)CCOCC1
InChIKey
InChIKey=HJQYCTVVUQHEAE-UHFFFAOYSA-N
Formula
C16H22IN3O4
Mass
447.273
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
Styrenes Nitroaromatic compounds Morpholines Tetraalkylammonium salts Ketoximes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Styrene - Morpholine - Oxazinane - Tetraalkylammonium salt - Ketoxime - Quaternary ammonium salt - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Oxime - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic iodide salt - Organic zwitterion - Organic oxide - Amine - Organonitrogen compound - Organic salt - Organooxygen 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