Structure Information
Structure

Compound Identification

SMILES

OC1(CC(C2=CC(=CC=C2)[N+]([O-])=O)C(C#N)(C(C1C(=O)C1=CC=CC=C1)C1=CC(=CC=C1)[N+]([O-])=O)C1=CC(Cl)=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=LGAZEGMTAMZIJR-UHFFFAOYSA-N

Formula

C38H28ClN3O6

Mass

658.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Dibenzylbutane lignan skeleton - Stilbene - Alkyl-phenylketone - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Nitrobenzene - Phenylketone - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Halobenzene - Chlorobenzene - Cyclohexanol - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Tertiary alcohol - Cyclic alcohol - 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 - Carbonitrile - Nitrile - Organooxygen compound - Organic zwitterion - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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