Structure Information
Structure

Compound Identification

SMILES

Cl.CCN(CC)CCOC(=O)C1=C(C=C(NO)C=C1)[N+]([O-])=O

InChIKey

InChIKey=YKIJXQNSAGWXSD-UHFFFAOYSA-N

Formula

C13H20ClN3O5

Mass

333.77

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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 - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Nitroaromatic compound - Benzoyl - Arylhydroxamate - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - N-organohydroxylamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrochloride - Organic oxygen compound - 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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