Compound Identification
SMILES
COC1=C(OC(C)=O)C=C(C=C2N=C(OC2=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XMCUCXVDDYQWOX-UHFFFAOYSA-N
Formula
C19H13ClN2O7
Mass
416.77
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 Anisoles Nitroaromatic compounds Methoxybenzenes 4-Hydrocarbylideneazlactones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organochlorides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 4-hydrocarbylideneazlactone - Halobenzene - Chlorobenzene - Dicarboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxazoline - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen 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