Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=NC(CCNC2=C(C=O)C=C(C=C2)[N+]([O-])=O)=CS1

InChIKey

InChIKey=HDGIZFARBYXRMZ-UHFFFAOYSA-N

Formula

C19H17N3O3S

Mass

367.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzaldehydes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzaldehyde - Aniline or substituted anilines - Nitroaromatic compound - Phenylalkylamine - Benzaldehyde - Benzoyl - Aryl-aldehyde - Toluene - Secondary aliphatic/aromatic amine - Aralkylamine - 2,4-disubstituted 1,3-thiazole - Vinylogous amide - Thiazole - Azole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic nitrogen compound - Amine - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.

External Descriptors

Not available

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