Compound Identification
SMILES
CCCCOC(=O)C1=CC=C(C=CC2=NC=C(N2C=C)[N+]([O-])=O)C=C1
InChIKey
InChIKey=IKDAKWLUAPUVGI-UHFFFAOYSA-N
Formula
C18H19N3O4
Mass
341.367
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
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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
Styrenes 1,2,5-trisubstituted imidazoles Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Nitroimidazoles N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Benzoyl - Imidazolyl carboxylic acid derivative - Nitroimidazole - Styrene - Trisubstituted imidazole - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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