Compound Identification
SMILES
CC1=NN(C(OC(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)=C1SC1=CC=C(C)C=C1)C(C)(C)C
InChIKey
InChIKey=XSWDCFHVHFLJSY-UHFFFAOYSA-N
Formula
C23H25N3O4S
Mass
439.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Diarylthioethers Benzoic acid esters Nitrotoluenes Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Pyrazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Diarylthioether - Benzoate ester - Nitrobenzene - Nitrotoluene - Benzoyl - Aryl thioether - Thiophenol ether - Nitroaromatic compound - Toluene - Azole - Pyrazole - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Thioether - Organic oxoazanium - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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