Compound Identification
SMILES
COC1=CC2=C(C=C1)C(Cl)=C(S2)C(=O)NNC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=SAPMKFXFHNDEHN-UHFFFAOYSA-N
Formula
C17H11Cl2N3O5S
Mass
440.25
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
1-benzothiophenes Nitrobenzenes Thiophene carboxamides Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzothiophene - 1-benzothiophene - Nitrobenzene - Anisole - Nitroaromatic compound - Benzoyl - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Thiophene - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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