Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C2=C(C=CC(Cl)=C2)[N+]([O-])=O)C2=CC=CC=C2S1
InChIKey
InChIKey=GLHKGTJSDLPONS-UHFFFAOYSA-N
Formula
C17H11ClN2O5S
Mass
390.79
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
3-halobenzoic acids and derivatives
Alternative Parents
1-benzothiophenes Benzamides Nitrobenzenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzothiophene - 1-benzothiophene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous amide - Methyl ester - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available