Compound Identification
SMILES
C[C@H]1O[C@@H](NC2=CC(=CC(=C2)C(O)=O)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@H]1O
InChIKey
InChIKey=MUMVSFLQZQEXFZ-NWOINBQQSA-N
Formula
C13H16N2O8
Mass
328.277
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 Benzoic acids Nitrobenzenes Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Nitroaromatic compounds Oxanes Monosaccharides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Polyols Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Glycosyl compound - N-glycosyl compound - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Monosaccharide - Oxane - C-nitro compound - Organic nitro compound - Secondary alcohol - Polyol - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic 1,3-dipolar compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Amine - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic zwitterion - 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