Compound Identification
SMILES
N[C@@H](CNC(=O)C1=CC(Cl)=CC=C1)[C@@H](O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HVBRMOHCJRVXAR-GJZGRUSLSA-N
Formula
C16H16ClN3O4
Mass
349.77
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
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aralkylamines Aryl chlorides Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Nitroaromatic compound - Benzoyl - Aralkylamine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organic nitro compound - Amino acid or derivatives - Secondary alcohol - Carboxamide group - 1,2-aminoalcohol - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Primary amine - Aromatic alcohol - Primary aliphatic amine - Organic zwitterion - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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