Compound Identification
SMILES
CC(=O)OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=VVOIFRARHIZCJD-UHFFFAOYSA-N
Formula
C13H14Cl2N2O6
Mass
365.16
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 Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Aromatic alcohols Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary alcohol - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl halide - Organohalogen compound - Organic oxide - Organopnictogen compound - Alkyl chloride - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic zwitterion - Carbonyl group - Organic nitrogen compound - 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
META CYC (CHLORAMPHENICOL-3-ACETATE) : a small molecule