Compound Identification
SMILES
[O-]C(=O)COC1=CC=C(C=C2SC(=O)N(CC3=CC(=CC=C3)[N+]([O-])=O)C2=O)C=C1
InChIKey
InChIKey=MNJBSFUGHFASAM-UHFFFAOYSA-M
Formula
C19H13N2O7S
Mass
413.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Thiazolidinediones Alkyl aryl ethers Dicarboximides Thiocarbamic acid derivatives Carboxylic acid salts Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Dicarboximide - Thiazolidine - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Thiocarbamic acid derivative - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic salt - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available