Compound Identification
SMILES
NC1=NC(=O)C(CCCNC2=C(C=CC(F)=C2)[N+]([O-])=O)=C(N)N1
InChIKey
InChIKey=YZMDGGPDMFEXAB-UHFFFAOYSA-N
Formula
C13H15FN6O3
Mass
322.3
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Aniline and substituted anilines Phenylalkylamines Nitroaromatic compounds Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Fluorobenzenes Aryl fluorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organofluorides Hydrocarbon derivatives Organooxygen compounds Primary amines Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aminopyrimidine - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic zwitterion - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available