Compound Identification
SMILES
COC1=C(OCC2=CC=C(O2)C(O)=O)C=CC(C=NNC(=O)C2=CC=CC=C2Cl)=C1
InChIKey
InChIKey=LDLUUMCEEMVDME-UHFFFAOYSA-N
Formula
C21H17ClN2O6
Mass
428.83
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
Phenoxy compounds Anisoles Benzoyl derivatives Furoic acids Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Furoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Furoic acid - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Vinylogous halide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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