Structure Information
Structure

Compound Identification

SMILES

COCC1=C(C#N)C(=O)NC(C=CC2=CC=C(O2)C2=CC(Cl)=C(C)C=C2)=C1[N+]([O-])=O

InChIKey

InChIKey=KESOQXXNBVRPIB-UHFFFAOYSA-N

Formula

C21H16ClN3O5

Mass

425.83

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - 3-pyridinecarbonitrile - Chlorobenzene - Dihydropyridine - Halobenzene - Pyridinone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Heteroaromatic compound - Furan - Lactam - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic oxoazanium - Carbonitrile - Nitrile - Organic zwitterion - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - 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

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