Compound Identification
SMILES
CCCC(=O)OC1=C(OCC)C=C(C=C2N=C(OC2=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=AQXBYPGCGXRYPM-UHFFFAOYSA-N
Formula
C22H19ClN2O7
Mass
458.85
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 Phenoxy compounds Phenol ethers Nitroaromatic compounds 4-Hydrocarbylideneazlactones Alkyl aryl ethers Chlorobenzenes Fatty acid esters Aryl chlorides Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic cations
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 - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Oxazoline - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Ether - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - 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