Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(C(=O)NC2=CC3=C(OC(=N3)C3=CN=CC=C3)C=C2)=C(Cl)C=C1

InChIKey

InChIKey=VTCJZSLVFCMTOQ-UHFFFAOYSA-N

Formula

C19H11ClN4O4

Mass

394.77

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Benzoxazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Vinylogous halide - Azole - Heteroaromatic compound - Oxazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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