Compound Identification
SMILES
O.Cl.Cl.CN1CCN(CCC(O)=O)CC1.OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BCKKVGNPZANPJS-WNHJFKIESA-N
Formula
C19H32Cl4N4O8
Mass
586.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds N-methylpiperazines Trialkylamines Secondary carboxylic acid amides Secondary alcohols Amino acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Primary alcohols Alkyl chlorides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols Organopnictogen compounds Organic oxides Carbonyl compounds Organic zwitterions Organochlorides
Molecular Framework
Not available
Substituents
Nitrobenzene - Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Amino acid or derivatives - Carboxamide group - C-nitro compound - Amino acid - Organic nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organopnictogen compound - Alkyl chloride - Primary alcohol - Hydrochloride - Organic salt - Carbonyl group - Aromatic alcohol - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available