Structure Information
Structure

Compound Identification

SMILES

OC1=C(C(C(C#N)C#N)C2=CC=C(C=C2)[N+]([O-])=O)C(=O)C(C2=CC=CC=C2)C(=S)C1C1=CC=CC=C1

InChIKey

InChIKey=HOLORYGJWUYJIY-UHFFFAOYSA-N

Formula

C28H19N3O4S

Mass

493.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Monocyclic monoterpenoids Nitrobenzenes Nitroaromatic compounds Cyclohexenones Vinylogous acids Thioketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Enols Organic salts Organic oxides Hydrocarbon derivatives Organic cations

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aromatic monoterpenoid - Monocyclic monoterpenoid - Nitrobenzene - Nitroaromatic compound - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - C-nitro compound - Thioketone - Cyclic ketone - Organic nitro compound - Enol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Thiocarbonyl group - Cyanide - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

External Descriptors

Not available

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