Compound Identification
SMILES
[O-][N+](=O)C1=C(Cl)C=CC(=C1)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=C(OCCCO2)C=C1
InChIKey
InChIKey=LHCLPBYRVOBOOZ-UHFFFAOYSA-N
Formula
C20H20ClN3O7S
Mass
481.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Piperazines Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Benzoyl - Nitroaromatic compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - C-nitro compound - Organic nitro compound - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available