Compound Identification
SMILES
CC1=C(C)C=C(NC2=NC(N)=C(C(NC3=CC(F)=CC=C3)=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XPHPNJYPMAXXEA-UHFFFAOYSA-N
Formula
C18H17FN6O2
Mass
368.372
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
o-Xylenes Aniline and substituted anilines Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - O-xylene - Xylene - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic salt - Organic oxygen compound - 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