Structure Information
Structure

Compound Identification

SMILES

CCCN(CCCCCCNCCC1=CC2=C(NC(=O)S2)C=C1)C1CCC2=CC(OC)=C(C=C2C1)[N+]([O-])=O

InChIKey

InChIKey=QRVLLSMKLLYJMK-UHFFFAOYSA-N

Formula

C29H40N4O4S

Mass

540.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Nitronaphthalenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitronaphthalenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-nitronaphthalene - Tetralin - 1,3-benzothiazole - Phenethylamine - Methoxyaniline - Anisole - Phenol ether - Nitroaromatic compound - Aralkylamine - Alkyl aryl ether - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.

External Descriptors

Not available

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