Compound Identification
SMILES
COC(=O)C1=CC(NN=CC2=CN=C(N2C)[N+]([O-])=O)=C(Cl)C=C1
InChIKey
InChIKey=QVYYWFPGTDOJHI-UHFFFAOYSA-N
Formula
C13H12ClN5O4
Mass
337.72
Taxonomic Classification
Taxonomy Tree
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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 1,2,5-trisubstituted imidazoles Phenylhydrazines Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Methyl esters Organic oxoazanium compounds Hydrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Phenylhydrazine - Trisubstituted imidazole - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Imidazole - Azole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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