Compound Identification
SMILES
COC1=C(OS(C)(=O)=O)C=C(CN(C(C)C)C(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XOSBSXQWBKDTLQ-UHFFFAOYSA-N
Formula
C19H21ClN2O7S
Mass
456.89
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
Nitrobenzenes Benzamides Methoxybenzenes Nitroaromatic compounds Benzoyl derivatives Anisoles Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organosulfonic acid esters Sulfonic acid esters Methanesulfonates Sulfonyls Tertiary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Organosulfonic acid or derivatives - Methanesulfonate - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - C-nitro compound - Organic nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organochloride - Organic cation - Aromatic homomonocyclic 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