Compound Identification
SMILES
CC(=NNC1=NC(=NC(NC2=CC=C(C=C2)[N+]([O-])=O)=N1)N1CCOCC1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=PDMDOTSTSLCVAO-UHFFFAOYSA-N
Formula
C21H21N9O5
Mass
479.457
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
1,3,5-triazine-2,4-diamines Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds 1,3,5-triazines Morpholines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrazones Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Morpholine - Oxazinane - 1,3,5-triazine - Triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Hydrazone - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic salt - 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