Compound Identification
SMILES
OC1=C(I)C=CC(=C1)C(=O)NN=CC1=CC=C(O1)C1=C(Cl)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=SWQXGMNZEFOFBS-UHFFFAOYSA-N
Formula
C18H11ClIN3O5
Mass
511.66
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 Benzoyl derivatives Nitroaromatic compounds O-iodophenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Iodobenzenes Aryl iodides Aryl chlorides Heteroaromatic compounds Furans Organic oxoazanium compounds Oxacyclic compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions Organochlorides Organoiodides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2-iodophenol - 2-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organoiodide - Organonitrogen compound - Aromatic heteromonocyclic 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