Compound Identification
SMILES
OCCCCCNC1=NC(NC2=CC=C(Cl)C=C2)=NC=C1[N+]([O-])=O
InChIKey
InChIKey=HXNJAEVIBCMPJQ-UHFFFAOYSA-N
Formula
C15H18ClN5O3
Mass
351.79
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Alkanolamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Primary alcohols Hydrocarbon derivatives Organic salts Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Alkanolamine - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Primary alcohol - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Organic zwitterion - Organic oxide - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available