Compound Identification
SMILES
CC(C)(O)C(C)(C)OB(O)C1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=CADOPHAAJXIYMP-UHFFFAOYSA-N
Formula
C13H18BNO7
Mass
311.1
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
Nitrobenzenes Benzoic acids Nitroaromatic compounds Benzoyl derivatives Tertiary alcohols Boronic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Carboxylic acids Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Boronic acid ester - Tertiary alcohol - Boronic acid derivative - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic metalloid salt - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic metalloid moeity - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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