Compound Identification
SMILES
COCC1=C(C#N)C(NCCC2=CC=C(F)C=C2)=NC(C)=C1[N+]([O-])=O
InChIKey
InChIKey=MAENLDDJCZCXIH-UHFFFAOYSA-N
Formula
C17H17FN4O3
Mass
344.346
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
3-pyridinecarbonitriles Aminopyridines and derivatives Fluorobenzenes Methylpyridines Aryl fluorides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Nitriles Organofluorides Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - 3-pyridinecarbonitrile - Aminopyridine - Fluorobenzene - Halobenzene - Methylpyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Amine - Organic zwitterion - Organic oxide - Organic nitrogen compound - 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