Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)NN=CC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=KLYSZBKELNHMBM-UHFFFAOYSA-N
Formula
C21H25Cl2N3O4
Mass
454.35
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Phenoxy compounds Nitrogen mustard compounds Methoxybenzenes Dialkylarylamines Benzoyl derivatives Anisoles Aniline and substituted anilines Alkyl aryl ethers Amino acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Benzoyl - Nitrogen mustard - Alkyl aryl ether - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available