Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)COC(=O)C2=CC(=C(C=C2)S(C)(=O)=O)[N+]([O-])=O)SC2=C1CCC(C)C2
InChIKey
InChIKey=VUFWFAZMXBWQQF-UHFFFAOYSA-N
Formula
C22H24N2O9S2
Mass
524.56
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
Benzoic acid esters Benzenesulfonyl compounds Nitrobenzenes Thiophene carboxylic acids and derivatives Benzoyl derivatives N-arylamides Nitroaromatic compounds Vinylogous amides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Benzenesulfonyl group - Benzoyl - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - N-arylamide - Vinylogous amide - Heteroaromatic compound - Thiophene - Sulfonyl - Sulfone - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic cation - Aromatic heteropolycyclic 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