Compound Identification
SMILES
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C=CC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=PPCIJWUUJOTIJD-UHFFFAOYSA-N
Formula
C27H31ClN2O3
Mass
467.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Fatty acid esters Alpha-acyloxy ketones Aryl chlorides Pyrazoles Heteroaromatic compounds Enoate esters Ketones Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Fatty acid ester - Alpha-acyloxy ketone - Aryl chloride - Aryl halide - Fatty acyl - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrazole - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available