Compound Identification
SMILES
CCOC1=C(OC)C=CC(=C1)C1=NN(CCC1)C(=O)C1=C(F)C=C(NN=C(C#N)C#N)C=C1
InChIKey
InChIKey=ZDFFTEBCIZESJL-UHFFFAOYSA-N
Formula
C23H21FN6O3
Mass
448.458
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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Phenylhydrazines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Pyridazines and derivatives Aryl fluorides Vinylogous halides Nitriles Hydrazones Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridazine - Vinylogous halide - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Hydrazone - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available