Compound Identification
SMILES
CC1=NN(C(OC(=O)C2=CC=CC=C2[N+]([O-])=O)=C1SC1=CC=C(C)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=NVQQPBBDSFKFOD-UHFFFAOYSA-N
Formula
C24H19N3O4S
Mass
445.49
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
Phenylpyrazoles Diarylthioethers Benzoic acid esters Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Toluenes Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Phenylpyrazole - Diarylthioether - Benzoate ester - Nitrobenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Toluene - Heteroaromatic compound - Pyrazole - Azole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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