Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC2=NC(NN\C=C3/C=CC=C(C3=O)[N+]([O-])=O)=NC(=N2)N2CCCCCC2)C=C1
InChIKey
InChIKey=BWHJEUZOKHELFJ-CCEZHUSRSA-N
Formula
C22H23N9O5
Mass
493.484
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
1,3,5-triazine-2,4-diamines Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds O-quinomethanes Azepanes 1,3,5-triazines Heteroaromatic compounds Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Secondary amines Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - O-quinomethane - Quinomethane - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Azepane - Triazine - 1,3,5-triazine - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Ketone - Cyclic ketone - C-nitro compound - Tertiary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic zwitterion - Hydrazine derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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