Compound Identification
SMILES
CONC(=O)C1=CC(NC2=NC=NN3C=C(NC(=O)OCCCN4C=CN=N4)C(C(C)C)=C23)=C(F)C=C1F
InChIKey
InChIKey=ZXEGEOHRVMEPON-UHFFFAOYSA-N
Formula
C23H25F2N9O4
Mass
529.509
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 Triazoles 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 - Aniline or substituted anilines - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Substituted pyrrole - 1,2,4-triazine - Triazine - Imidolactam - Pyrrole - Carbamic acid ester - 1,2,3-triazole - Vinylogous halide - Azole - Heteroaromatic compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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