Compound Identification
SMILES
NC1=C(C(NC2=CC(F)=CC=C2)=NC(NCCCN2CCOCC2)=N1)[N+]([O-])=O
InChIKey
InChIKey=BOFBGGWXWFWVCE-UHFFFAOYSA-N
Formula
C17H22FN7O3
Mass
391.407
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 Secondary alkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Morpholines Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Organic zwitterions Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Nitroaromatic compound - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Aryl fluoride - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Organic oxoazanium - Secondary amine - Organic zwitterion - Organohalogen compound - Organic oxide - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - 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