Compound Identification
SMILES
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C1=CC=C(I)C=C1)N2C
InChIKey
InChIKey=BRRFCLVJGYVEQO-LJISPDSOSA-N
Formula
C17H20INO4
Mass
429.254
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Tropane alkaloids Piperidinecarboxylic acids Benzoyl derivatives Iodobenzenes Fatty acid esters N-alkylpyrrolidines Dicarboxylic acids and derivatives Methyl esters Enoate esters Trialkylamines Amino acids and derivatives Vinyl iodides Iodoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoate ester - Tropane alkaloid - Piperidinecarboxylic acid - Benzoyl - Iodobenzene - Halobenzene - Fatty acid ester - Fatty acyl - N-alkylpyrrolidine - Piperidine - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available