Structure Information
Structure

Compound Identification

SMILES

OC(=O)COC1=CC=CC=C1C=NN1C(=O)C2=CC=CC3=C(C=CC(C1=O)=C23)[N+]([O-])=O

InChIKey

InChIKey=XMKIUJCMTIMFHM-UHFFFAOYSA-N

Formula

C21H13N3O7

Mass

419.349

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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

1-nitronaphthalene - Isoquinolone - Phenoxyacetate - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic oxide - 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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