Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

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

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