Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N1CCCCC1)[N+]([O-])=O
InChIKey
InChIKey=YDZVNLACTBFMGG-UHFFFAOYSA-N
Formula
C21H23N3O7S
Mass
461.49
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
Benzenesulfonamides Benzoic acid esters Anilides Benzenesulfonyl compounds Nitrobenzenes Nitrotoluenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Organosulfonamides Piperidines Sulfonyls Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Nitrotoluene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Toluene - Piperidine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic cation - Aromatic heteromonocyclic 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