Compound Identification
SMILES
CC1=CC(=CC(C)=C1O)N1CCCN(CC#N)CC2=CC=CC(CN(CC3=CC(F)=CC=C3)CC3=NC(CN(CC4=CC(=CC=C4)[N+]([O-])=O)CC1)=CC=C3)=N2
InChIKey
InChIKey=JUPGIXLCHJMOEB-UHFFFAOYSA-N
Formula
C43H47FN8O3
Mass
742.9
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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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 Benzylamines Dialkylarylamines Nitroaromatic compounds Ortho cresols Phenylmethylamines m-Xylenes p-Aminophenols Aralkylamines Fluorobenzenes Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Alpha-aminonitriles Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Aminophenol - P-aminophenol - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Phenylmethylamine - Benzylamine - Dialkylarylamine - M-xylene - Xylene - Aniline or substituted anilines - O-cresol - Phenol - Aralkylamine - Fluorobenzene - Halobenzene - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Alpha-aminonitrile - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Cyanide - Organic zwitterion - Aromatic heteropolycyclic 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