Structure Information
Structure

Compound Identification

SMILES

CC1=C2[C@@H](C3=CC(Cl)=C(OCC4=CC=C(C=C4)[N+]([O-])=O)C=C3)C(C#N)=C(N)OC2=NN1

InChIKey

InChIKey=UUTXBVSGIUXKIL-IBGZPJMESA-N

Formula

C21H16ClN5O4

Mass

437.84

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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 - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Pyrazole - Organic nitro compound - Ketene acetal or derivatives - C-nitro compound - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carbonitrile - Organic oxoazanium - Nitrile - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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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