Compound Identification
SMILES
CONC(=O)C1=CC(NC2=NC=NN3C=C(NC(=O)OCCCS(C)(=O)=O)C(C(C)C)=C23)=C(F)C=C1F
InChIKey
InChIKey=ITQSJZWWFWDOKJ-UHFFFAOYSA-N
Formula
C22H26F2N6O6S
Mass
540.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Pyrrolo[2,1-f][1,2,4]triazines Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes 1,2,4-triazines Substituted pyrroles Aryl fluorides Imidolactams Vinylogous halides Sulfones Carbamate esters Heteroaromatic compounds Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Pyrrolo[2,1-f][1,2,4]triazine - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,2,4-triazine - Substituted pyrrole - Triazine - Imidolactam - Heteroaromatic compound - Pyrrole - Sulfone - Sulfonyl - Vinylogous halide - Carbamic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available