Compound Identification
SMILES
CC1=NN(C(OC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)=C1SC1=CC=C(Cl)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=XJZUVJFFMIENSL-UHFFFAOYSA-N
Formula
C23H15Cl2N3O4S
Mass
500.35
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 4-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Phenylpyrazole - Diarylthioether - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrazole - Azole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - 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