Compound Identification
SMILES
CCCCCCCCCCCCSC1=C(C=C(C=C1)C(=O)OC)[N+]([O-])=O
InChIKey
InChIKey=ANERJTMKGMFYBF-UHFFFAOYSA-N
Formula
C20H31NO4S
Mass
381.53
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
P-sulfanylbenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Methyl esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - P-sulfanylbenzoic acid or derivatives - Nitrobenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen 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