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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Aminotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Primary aromatic amines Aryl chlorides Aryl fluorides Monosaccharides Alkyl nitrates Trialkylamines Amino acids Organic nitro compounds Organic nitric acids and derivatives Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
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