Compound Identification
SMILES
CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=N)C1=O)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=CTRROBPEKTYPCP-KFZUGWGMSA-N
Formula
C31H39Cl4N7O3
Mass
699.5
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 Pyrimidones Aralkylamines Piperidines Aryl chlorides Diazinanes Tertiary carboxylic acid amides Oxime ethers Trialkylamines Ureas Amino acids and derivatives Azacyclic compounds Carboximidamides Carboxamidines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Aralkylamine - Pyrimidone - Chlorobenzene - Aryl chloride - Aryl halide - 1,3-diazinane - Piperidine - Pyrimidine - Tertiary carboxylic acid amide - Oxime ether - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Urea - Amidine - Azacycle - Carboxylic acid amidine - Organoheterocyclic compound - Carboxylic acid derivative - Carboximidamide - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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