Compound Identification
SMILES
CC1=C(C)C=C(NC2=NC(NN\C=C3\C=CC(=O)C(=C3)[N+]([O-])=O)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1
InChIKey
InChIKey=WSDSWEHSLNEQLO-SSZFMOIBSA-N
Formula
C24H21N9O5
Mass
515.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
o-Xylenes 1,3,5-triazine-2,4-diamines P-quinomethanes Aniline and substituted anilines Nitroaromatic compounds 1,3,5-triazines Heteroaromatic compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Hydrazines and derivatives Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - O-xylene - Xylene - Quinomethane - P-quinomethane - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Cyclic ketone - C-nitro compound - Ketone - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Carbonyl group - Hydrazine derivative - Organic zwitterion - 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