Compound Identification
SMILES
CCOC1=C(OC(=O)CC)C(I)=CC(C=C2N=C(OC2=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=ODUWITFUYRLICV-UHFFFAOYSA-N
Formula
C21H16ClIN2O7
Mass
570.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Phenol ethers Chlorobenzenes Iodobenzenes 4-Hydrocarbylideneazlactones Alkyl aryl ethers Aryl iodides Aryl chlorides Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - 4-hydrocarbylideneazlactone - Iodobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Oxazoline - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Organoiodide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available