Compound Identification
SMILES
CC1(C)C2(C)CCC1(CC2=NOC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C(=O)NC1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=NJPKWEQZCKIDQV-UHFFFAOYSA-N
Formula
C24H22Cl2N4O7
Mass
549.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
Aromatic monoterpenoids Bicyclic monoterpenoids Anilides Nitrobenzenes Benzoyl derivatives Dichlorobenzenes N-arylamides Nitroaromatic compounds Aryl chlorides Oxime esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzoate - Aromatic monoterpenoid - Norbornane monoterpenoid - Bornane monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Nitrobenzene - Anilide - Nitroaromatic compound - 1,2-dichlorobenzene - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Oximester - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic 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