Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)O[C@H]1C[C@H](N=[N+]=[N-])[C@H](OC(=O)C2=CC=C(Cl)C=C2)[C@@H](CN=[N+]=[N-])O1
InChIKey
InChIKey=GTVZYBHRETXPMQ-MHORFTMASA-N
Formula
C20H16Cl2N6O5
Mass
491.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Oxanes Aryl chlorides Monosaccharides Dicarboxylic acids and derivatives Azo compounds Azo imides Carboxylic acid esters Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monosaccharide - Dicarboxylic acid or derivatives - Oxane - Azo compound - Azo imide - Carboxylic acid ester - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available