Compound Identification
SMILES
OC[C@@H]1O[C@@H](NC2=CC(=CC(=C2)C(O)=O)[N+]([O-])=O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=NTYQLZCIRRRKCF-ZRUFSTJUSA-N
Formula
C12H14N2O8
Mass
314.25
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
Glycosylamines Aminobenzoic acids Pentoses Benzoic acids Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Oxolanes Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Organic oxoazanium compounds Primary alcohols Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Glycosyl compound - N-glycosyl compound - Aminobenzoic acid - Aminobenzoic acid or derivatives - Pentose monosaccharide - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Monosaccharide - Oxolane - Secondary alcohol - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Oxacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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