Compound Identification
SMILES
OC(=O)C(CSCC1=CC=C(F)C=C1)NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=ZMYLCTFUCXDVGU-UHFFFAOYSA-N
Formula
C17H15FN2O6S
Mass
394.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Cysteine and derivatives Alpha amino acids Aminobenzoic acids Benzoic acids Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Fluorobenzenes Aryl fluorides Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Organic salts Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Aminobenzoic acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Secondary amine - Thioether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - 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