Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC2=CC=C(O2)C(O)=O)C=CC(C=NNC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C1

InChIKey

InChIKey=HQFUAQNUTYHZSO-UHFFFAOYSA-N

Formula

C22H19N3O8

Mass

453.407

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid or derivatives - Nitrobenzene - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Furoic acid - Phenol ether - Alkyl aryl ether - Furan - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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