Compound Identification
SMILES
CC(C)(C)OC(=O)C1=C(O)C=CC(NCC2=C(O)C=CC(Cl)=C2)=C1
InChIKey
InChIKey=KZZGNZFIPCZBFI-UHFFFAOYSA-N
Formula
C18H20ClNO4
Mass
349.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
o-Hydroxybenzoic acid esters Aminobenzoic acids and derivatives Salicylic acid and derivatives p-Aminophenols Aniline and substituted anilines Benzoyl derivatives Benzylamines P-chlorophenols Phenylalkylamines Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines Aryl chlorides Vinylogous acids Carboxylic acid esters Amino acids and derivatives Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbenzamine - O-hydroxybenzoic acid ester - Aminobenzoic acid or derivatives - Benzoate ester - Salicylic acid or derivatives - Benzoic acid or derivatives - Aminophenol - P-aminophenol - Benzoyl - Benzylamine - 4-halophenol - 4-chlorophenol - Aniline or substituted anilines - Phenylalkylamine - Phenol - Aralkylamine - Secondary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous acid - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available