Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(N)C(=C(CN(C)C)S1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=CYNSHAFMRRXXHV-UHFFFAOYSA-N

Formula

C16H19N3O4S

Mass

349.41

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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

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Aralkylamine - Aminothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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