Compound Identification
SMILES
CC1=CC=CC=C1CSCC(NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=QYXWRPWANXDQJJ-UHFFFAOYSA-N
Formula
C18H18N2O6S
Mass
390.41
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 Toluenes Secondary alkylarylamines 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 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 - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoic acid - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Toluene - C-nitro compound - Amino acid - Organic nitro compound - Amino acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Secondary amine - Thioether - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - 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