Compound Identification
SMILES
COC1=C(C=C2C(=O)NC(=O)NC2=O)C(CCN(C)C(=O)C2=CC=CC=C2Cl)=CC2=C1OCO2
InChIKey
InChIKey=MRHUFRUCYKPMIM-UHFFFAOYSA-N
Formula
C23H20ClN3O7
Mass
485.88
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
Barbituric acid derivatives Benzamides Benzodioxoles Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes N-acyl ureas Aryl chlorides Diazinanes Vinylogous halides Tertiary carboxylic acid amides Dicarboximides Oxacyclic compounds Azacyclic compounds Acetals Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Barbiturate - Benzamide - Benzodioxole - Anisole - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-acyl urea - Pyrimidone - Ureide - Aryl chloride - Pyrimidine - Aryl halide - 1,3-diazinane - Tertiary carboxylic acid amide - Vinylogous halide - Dicarboximide - Urea - Carboxamide group - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic 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