Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C1NC(C2=CC(=CC=C2)[N+]([O-])=O)C(C#N)(C#N)C1(C#N)C#N

InChIKey

InChIKey=DJKNPVNYVZOFER-UHFFFAOYSA-N

Formula

C20H11N7O4

Mass

413.353

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Phenylpyrrolidines Nitrobenzenes Nitroaromatic compounds Aralkylamines Pyrroles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Dialkylamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dibenzylbutane lignan skeleton - 2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrrolidine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Organonitrogen compound - Cyanide - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.

External Descriptors

Not available

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