Compound Identification
SMILES
CCCCCCC(=O)OC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=VCPYBHUMHJISDR-UHFFFAOYSA-N
Formula
C14H17NO6
Mass
295.291
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 Nitrobenzenes Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Fatty acid esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Phenol ester - Benzoic acid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - 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