Structure Information
Structure

Compound Identification

SMILES

COCCN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)C1=CC(F)=CC=C1

InChIKey

InChIKey=XAIBOWXFLAAZPF-UHFFFAOYSA-N

Formula

C17H14FN3O4S

Mass

375.37

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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 heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Isothiourea - C-nitro compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic 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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