Compound Identification
SMILES
C[NH+]1CCN(CC1)C(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=WIHBBMZVICMMFL-UHFFFAOYSA-O
Formula
C12H15ClN3O3
Mass
284.72
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
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-methylpiperazines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Quaternary ammonium salts Amino acids and derivatives Trialkylamines Organic oxoazanium compounds Azacyclic compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Nitroaromatic compound - Benzoyl - Halobenzene - Chlorobenzene - N-alkylpiperazine - N-methylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Tertiary carboxylic acid amide - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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