Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)C(C#N)=C(CC(=O)C(=CC2=CC=C(O2)C2=C(C=C(OC)C=C2)[N+]([O-])=O)C#N)S1

InChIKey

InChIKey=CMGUNXGDSMDQDL-UHFFFAOYSA-N

Formula

C25H19N3O7S

Mass

505.5

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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

Nitrophenyl ether - Methoxyaniline - Thiophene carboxylic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Thiophene - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Furan - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Ketone - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Aldehyde - Organic zwitterion - Hydrocarbon derivative - 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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