Compound Identification
SMILES
CC1=CC=C(S1)C(=O)COC(=O)C1=C(C(C)=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=PYDSVHXTMMPHAH-UHFFFAOYSA-N
Formula
C15H13NO5S
Mass
319.33
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
Benzoic acid esters Nitrotoluenes Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 2,5-disubstituted thiophenes Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Toluene - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ketone - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organoheterocyclic compound - 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 - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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