Compound Identification
SMILES
CO[C@@H](CC\C=C\C(=O)NO)[C@@H](OC(=O)NC1=CC=C(C=C1)C#N)C1=C(O)C=CC(Br)=C1
InChIKey
InChIKey=DLFFFTHLQQSIIU-UEDNFGOZSA-N
Formula
C22H22BrN3O6
Mass
504.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylcarbamic acid esters
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Phenylcarbamic acid esters
Alternative Parents
Benzyloxycarbonyls P-bromophenols Benzonitriles Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Carbamate esters Hydroxamic acids Nitriles Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylcarbamic acid ester - Benzyloxycarbonyl - Benzonitrile - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Carbamic acid ester - Hydroxamic acid - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Cyanide - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
External Descriptors
Not available