Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CC(O)=O)=C(NC2=C(F)C=CC=C2Cl)C=C1.CN(C)C[C@H](O[N+]([O-])=O)[C@@H](O[N+]([O-])=O)[C@H](O[N+]([O-])=O)[C@@H](CO[N+]([O-])=O)O[N+]([O-])=O

InChIKey

InChIKey=HRPIDEHFLXUIEC-HUDOLUFHSA-N

Formula

C23H27ClFN7O17

Mass

727.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Aminotoluenes

Alternative Parents

Molecular Framework

Not available

Substituents

Aminotoluene - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Chlorobenzene - Monosaccharide - Aryl chloride - Aryl fluoride - Aryl halide - Primary aromatic amine - Organic nitrate - Alkyl nitrate - Amino acid or derivatives - Amino acid - Organic nitric acid or derivatives - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.

External Descriptors

Not available

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