Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(OP(=O)(NC(=O)C2=CC=C(Cl)C=C2)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=HXVADSPKHJBNSX-UHFFFAOYSA-N
Formula
C19H13ClN3O8P
Mass
477.75
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 Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Phosphate esters Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Phosphoric acid ester - Aryl chloride - Organic phosphoric acid derivative - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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