Compound Identification
SMILES
CC1=CC(NC(=O)C23CCC(C)(C(C2)=NOC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C3(C)C)=C(C)C=C1
InChIKey
InChIKey=PDKRFCAVDARXOW-UHFFFAOYSA-N
Formula
C26H29N3O5
Mass
463.534
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
Aromatic monoterpenoids Bicyclic monoterpenoids Anilides Nitrobenzenes p-Xylenes Benzoyl derivatives Nitroaromatic compounds N-arylamides Oxime esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzoate - Aromatic monoterpenoid - Bornane monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Nitrobenzene - Anilide - Benzoyl - Nitroaromatic compound - P-xylene - Xylene - N-arylamide - Oximester - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Organic zwitterion - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - 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