Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C2SNC(CCOCC3=CC=CC=C3)=C2C1C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=WXDVMRPEHOCMSU-UHFFFAOYSA-N

Formula

C25H25N3O5S

Mass

479.55

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

Benzylether - Nitrobenzene - Nitroaromatic compound - Ortho-thiazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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

Previous Back Next