Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NC1=CC(=C2NC3=CC=CC=C3O2)C(=O)C=C1
InChIKey
InChIKey=SMQNTYYQPCOYHW-UHFFFAOYSA-N
Formula
C21H15ClN2O4
Mass
394.81
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoxazolines Anisoles Benzoyl derivatives Methoxybenzenes O-quinomethanes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous amides Vinylogous esters Ketene acetals Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Aldehydes Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzoxazoline - Benzamide - O-quinomethane - Benzoyl - Phenol ether - Quinomethane - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Vinylogous ester - Vinylogous amide - Cyclic ketone - Secondary carboxylic acid amide - Ketene acetal or derivatives - Carboxamide group - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Aldehyde - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available