Compound Identification
SMILES
NC1=C(C(NC2=CC(F)=CC=C2)=NC(NCCOCCO)=N1)[N+]([O-])=O
InChIKey
InChIKey=GVZWHHSRIGVNCT-UHFFFAOYSA-N
Formula
C14H17FN6O4
Mass
352.326
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
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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 Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic zwitterions Organofluorides Primary alcohols Hydrocarbon derivatives Organic salts Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Primary amine - Organic salt - Organic zwitterion - Organic oxide - 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