Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=CC(C=NNC2=NC(=NC(=N2)N2CCOCC2)N2CCOCC2)=C1
InChIKey
InChIKey=VGGDWRIAWXXQAS-UHFFFAOYSA-N
Formula
C27H32N8O6
Mass
564.603
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 Phenoxy compounds Phenol ethers Dialkylarylamines Nitroaromatic compounds Alkyl aryl ethers 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 - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Morpholine - 1,3,5-triazine - Oxazinane - Triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic salt - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - 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