Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)OCC1=CC(Cl)=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=BKCQTWUXGNHYKE-UHFFFAOYSA-N
Formula
C15H11Cl2NO4
Mass
340.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Benzoic acid esters Benzyloxycarbonyls Nitrobenzenes Nitrotoluenes Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Aryl chlorides Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Aryl chloride - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - 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