Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CN(CC(=O)N2N=C3[C@@H](CCC\C3=C\C3=CC=C(Cl)C=C3)[C@@H]2C2=CC=C(Cl)C=C2)C(=O)C=C1

InChIKey

InChIKey=OKFBKUZRCISHQN-RTBSUHMLSA-N

Formula

C27H22Cl2N4O4

Mass

537.4

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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 heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Nitroaromatic compound - Chlorobenzene - Dihydropyridine - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Heteroaromatic compound - Pyrazoline - Organic nitro compound - N-alkylated hydrazone - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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