Compound Identification
SMILES
COC1=CC=CC=C1\C=N\NC1=NC(NC2=CC=C(C=C2)[N+]([O-])=O)=NC(NC2=CC(C)=C(C)C=C2)=N1
InChIKey
InChIKey=DUTBTNVIFZSZGT-CVKSISIWSA-N
Formula
C25H24N8O3
Mass
484.52
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 Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds o-Xylenes Alkyl aryl ethers 1,3,5-triazines Heteroaromatic compounds Hydrazones Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - O-xylene - Xylene - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Ether - Hydrazone - Organic oxoazanium - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic zwitterion - 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