Compound Identification
SMILES
[H][C@@](O)(C1=CC=C(C=C1)N(=O)=O)[C@@]([H])(COC(C)=O)N=C(O)C(Cl)Cl
InChIKey
InChIKey=VVOIFRARHIZCJD-GHMZBOCLSA-N
Formula
C13H14Cl2N2O6
Mass
365.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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 Secondary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic zwitterions Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Aromatic alcohols Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Carboxylic acid ester - C-nitro compound - Secondary alcohol - Organic nitro compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Carbonyl group - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic alcohol - Organic zwitterion - Alcohol - Alkyl chloride - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic 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
CHEBI:16730 : acetate ester