Compound Identification
SMILES
CC1CCCN(C1)C(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=MTKVKAUIGBWGED-UHFFFAOYSA-N
Formula
C13H14ClN3O5
Mass
327.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoyl derivatives
- Level 5 1-benzoylpiperidines
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-benzoylpiperidines
Alternative Parents
N-benzoylpiperidines 2-halobenzoic acids and derivatives Benzamides Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpiperidine - 1-benzoylpiperidine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors
Not available