Compound Identification
SMILES
CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)[C@H](CCN1CCC(CC1)N1CCCN(C\C(N)=N\O)C1=O)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=WBTKINCCINTBEY-KFZUGWGMSA-N
Formula
C31H39Cl4N7O4
Mass
715.5
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Dichlorobenzenes Aralkylamines Pyrimidones Piperidines Aryl chlorides Diazinanes Amidoximes Tertiary carboxylic acid amides Ureas Amino acids and derivatives Trialkylamines Oxime ethers Azacyclic compounds Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,2-dichlorobenzene - 1,3-dichlorobenzene - Chlorobenzene - Aralkylamine - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - 1,3-diazinane - Pyrimidine - Piperidine - Amidoxime - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Oxime ether - Amidine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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