Structure Information
Structure

Compound Identification

SMILES

N[C@@H](CNC(=O)C1=CC(Cl)=CC=C1)[C@@H](O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=HVBRMOHCJRVXAR-GJZGRUSLSA-N

Formula

C16H16ClN3O4

Mass

349.77

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Nitroaromatic compound - Benzoyl - Aralkylamine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organic nitro compound - Amino acid or derivatives - Secondary alcohol - Carboxamide group - 1,2-aminoalcohol - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Primary amine - Aromatic alcohol - Primary aliphatic amine - Organic zwitterion - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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