Compound Identification
SMILES
C[C@@H](OC(=O)C1=C(C=CC(Cl)=C1)[N+]([O-])=O)C(=O)NC1=CC(Cl)=C(Cl)C=C1Cl
InChIKey
InChIKey=AOYHEDFZEWOZMT-SSDOTTSWSA-N
Formula
C16H10Cl4N2O5
Mass
452.07
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzoic acid esters Anilides Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Aryl chlorides Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - 3-halobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available