Compound Identification
SMILES
COC1=C(OC(=O)C2=CC=CS2)C=CC(\C=N\NC2=C(C=C(C=C2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)=C1
InChIKey
InChIKey=PEYPBAHJDIVKQK-YSURURNPSA-N
Formula
C20H13F3N4O7S
Mass
510.4
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
Trifluoromethylbenzenes Nitrobenzenes Thiophene carboxylic acids and derivatives Phenylhydrazines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Hydrazones Organic oxoazanium compounds Alkyl fluorides Organic salts Organic zwitterions Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Trifluoromethylbenzene - Nitrobenzene - Anisole - Phenoxy compound - Phenol ether - Phenylhydrazine - Thiophene carboxylic acid or derivatives - Methoxybenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrazone - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - 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