Structure Information
Structure

Compound Identification

SMILES

NC(=S)N(NC(=O)C1=NOC(CNC2=C(Cl)C=C(C=N2)C(F)(F)F)C1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=YYZQAEAEIDZSMI-UHFFFAOYSA-N

Formula

C18H15ClF3N7O4S

Mass

517.87

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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 - Phenylhydrazine - Aminopyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Isoxazoline - Heteroaromatic compound - Thiosemicarbazide - Carboxylic acid hydrazide - C-nitro compound - Oxime ether - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organofluoride - Organochloride - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - 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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