Compound Identification
SMILES
OCC1OC(NC2=CC(=CC(=C2)C(O)=O)[N+]([O-])=O)C(O)C(O)C1O
InChIKey
InChIKey=OMJDAMXBZQGOAP-UHFFFAOYSA-N
Formula
C13H16N2O9
Mass
344.276
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
Hexoses Glycosylamines Aminobenzoic acids Benzoic acids Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Nitroaromatic compounds Oxanes Secondary alcohols Oxacyclic compounds Carboxylic acids Polyols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hexose monosaccharide - Nitrobenzoate - Glycosyl compound - N-glycosyl compound - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Monosaccharide - Oxane - Secondary alcohol - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Alcohol - Organic salt - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - 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