Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=[N+]([O-])C2=C(C=CC(OC)=C2)N=C1COC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=HOBKARGCKNQGMI-UHFFFAOYSA-N

Formula

C20H17N3O8

Mass

427.369

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Quinoxaline - Nitrobenzene - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Pyrazine - Pyrazinium - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Azacycle - Organic salt - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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