Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(NC1=C(C(NNC(=O)C3=C(Cl)C=C(Cl)C=C3)=NC=N1)[N+]([O-])=O)S2
InChIKey
InChIKey=NSDCWHXVIZJUNJ-UHFFFAOYSA-N
Formula
C19H13Cl2N7O4S
Mass
506.32
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
2-halobenzoic acids and derivatives Benzothiazoles Anisoles Benzoyl derivatives Nitroaromatic compounds Dichlorobenzenes Alkyl aryl ethers Aminopyrimidines and derivatives 2-amino-1,3-thiazoles Aryl chlorides Imidolactams Vinylogous halides Heteroaromatic compounds Carboxylic acid hydrazides Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxides Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Anisole - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous halide - Thiazole - Azole - Carboxylic acid hydrazide - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Azacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Organic oxide - 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