Compound Identification
SMILES
CC(C)OC(=O)C1=C(Cl)C=C(NCC2=C(O)C=CC(O)=C2)C=C1
InChIKey
InChIKey=KYIFXDFKSZAPFG-UHFFFAOYSA-N
Formula
C17H18ClNO4
Mass
335.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Hydroquinones Benzylamines 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines Chlorobenzenes Aryl chlorides Vinylogous halides Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbenzamine - Aminobenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzylamine - Hydroquinone - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Secondary aliphatic/aromatic amine - Aryl halide - Aryl chloride - Vinylogous halide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Amine - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - 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