Compound Identification
SMILES
OC(=O)C1=CC=CC(=C1)C1=CC=C(O1)C=NNC1=NC2=NON=C2N=C1NC1=CC=C(F)C=C1
InChIKey
InChIKey=PJFPFNLJMAFULO-UHFFFAOYSA-N
Formula
C22H14FN7O4
Mass
459.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
-
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
Benzoic acids
Alternative Parents
Aniline and substituted anilines Benzoyl derivatives Aminopyrazines Fluorobenzenes Aryl fluorides Imidolactams Furans Furazans Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrazones Monocarboxylic acids and derivatives Organooxygen compounds Organopnictogen compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid - Benzoyl - Aniline or substituted anilines - Aminopyrazine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyrazine - Azole - Heteroaromatic compound - Furan - Oxadiazole - Furazan - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Hydrazone - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available