Compound Identification
SMILES
COC1=C(C=NNC2=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=NC(NC3=CC(C)=C(C)C=C3)=N2)C=C(Br)C=C1
InChIKey
InChIKey=DSMQTJUWPSJANJ-UHFFFAOYSA-N
Formula
C25H23BrN8O3
Mass
563.416
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
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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 Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes 1,3,5-triazines Aryl bromides Heteroaromatic compounds Hydrazones Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - O-xylene - Xylene - Anisole - Methoxybenzene - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3,5-triazine - Triazine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Hydrazone - Organic zwitterion - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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