Compound Identification
SMILES
COC1=C(OCC2=CC=C(O2)C(O)=O)C=CC(C=NNC(=O)C2=C(Cl)C=C(Cl)C=C2)=C1
InChIKey
InChIKey=IRLDSYZWGJRDCJ-UHFFFAOYSA-N
Formula
C21H16Cl2N2O6
Mass
463.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Furoic acids Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Furoic acid - Furoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Benzoyl - 1,3-dichlorobenzene - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Furan - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available