Compound Identification
SMILES
COC1=CC2=C(C=C1)C(Cl)=C(S2)C(=O)OC1=CC=C(\C=N\NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=JTBLQZJZWAXYQR-LGJNPRDNSA-N
Formula
C24H16ClN3O6S
Mass
509.92
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
1-benzothiophenes Benzoic acids and derivatives Nitrobenzenes Anisoles Thiophene carboxylic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - 1-benzothiophene - Benzoic acid or derivatives - Benzothiophene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Thiophene - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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