Compound Identification
SMILES
CC(OC1=C(C=C(Br)C=C1C=NN1C(=O)C2C3CC(C=C3)C2C1=O)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=AHQSCIQJVFJXQS-UHFFFAOYSA-N
Formula
C19H16BrN3O7
Mass
478.255
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass 2-phenoxypropionic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acids
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acids
Alternative Parents
Phenoxyacetic acid derivatives Nitrophenyl ethers Isoindolones Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Pyrrolidine-2-ones Aryl bromides Dicarboximides Lactams Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenoxypropionic acid - Nitrophenyl ether - Phenoxyacetate - Isoindolone - Nitrobenzene - Isoindoline - Isoindole or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - C-nitro compound - Lactam - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
External Descriptors
Not available