Structure Information
Structure

Compound Identification

SMILES

COC1=C(CSC2=NN=C(N2C)C2=CC=C(N)C=C2)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=NTCJDVDCKQUTBB-UHFFFAOYSA-N

Formula

C17H17N5O3S

Mass

371.42

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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

Nitrophenyl ethers

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Phenyltriazole - Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Aniline or substituted anilines - Aryl thioether - Methoxybenzene - Phenol ether - Anisole - Nitroaromatic compound - Alkyl aryl ether - Alkylarylthioether - Triazole - Heteroaromatic compound - Azole - 1,2,4-triazole - Organic nitro compound - C-nitro compound - Ether - Organic oxoazanium - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.

External Descriptors

Not available

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