Compound Identification
SMILES
CC(=O)OC1=C(C)C=CC(C(O)=O)=C1[N+]([O-])=O
InChIKey
InChIKey=WGCAFMYAZVDTPJ-UHFFFAOYSA-N
Formula
C10H9NO6
Mass
239.183
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
Phenol esters Benzoic acids Nitrotoluenes Nitrobenzenes Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Dicarboxylic acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Phenol ester - Benzoic acid - Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Toluene - Dicarboxylic acid or derivatives - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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