Structure Information
Structure

Compound Identification

SMILES

O[N+](O)=O.CCN(CC)CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=BRZXXQIFADCKAB-UHFFFAOYSA-N

Formula

C13H20N3O7

Mass

330.316

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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 homomonocyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic nitrate - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Organic nitric acid - Organic nitric acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Organooxygen compound - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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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