Compound Identification
SMILES
CC1=C(NC2=C(C=CC(=C2)[N+]([O-])=O)C(O)=O)C=CC(=C1)S(C)(=O)=O
InChIKey
InChIKey=WLRFBWFHIWJXPK-UHFFFAOYSA-N
Formula
C15H14N2O6S
Mass
350.35
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
Aminobenzoic acids Sulfonylanilines Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Aminotoluenes Benzoyl derivatives Nitroaromatic compounds Primary aromatic amines Sulfones Vinylogous amides Amino acids Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxoazanium compounds Organic oxides Organic salts Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Sulfonylaniline - Benzoic acid - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aminotoluene - Toluene - Primary aromatic amine - Vinylogous amide - Sulfonyl - Sulfone - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Amino acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic salt - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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