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Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C=C1C(=O)C=CC1=CC=CC=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=LJAPVXYKCUGLLE-UHFFFAOYSA-N

Formula

C16H12N2O5

Mass

312.281

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Retrochalcone - Dinitrotoluene - Cinnamic acid or derivatives - Nitrobenzene - Nitrotoluene - Styrene - Nitroaromatic compound - Aryl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - C-nitro compound - Ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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