Compound Identification
SMILES
CC1=NC=C(N1CCOC(=O)C1=CC=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NMXSQMILUARPIL-UHFFFAOYSA-N
Formula
C13H12ClN3O4
Mass
309.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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 Benzoyl derivatives Nitroaromatic compounds Nitroimidazoles Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Trisubstituted imidazole - Nitroimidazole - Benzoyl - Nitroaromatic compound - 1,2,5-trisubstituted-imidazole - Halobenzene - Chlorobenzene - Aryl halide - N-substituted imidazole - Aryl chloride - Azole - Heteroaromatic compound - Imidazole - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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