Compound Identification
SMILES
[O-][N+](=O)C1=CN=C(C=CC2=CC=C(C=C2)C(=O)OCCN2CCOCC2)N1C=C
InChIKey
InChIKey=KYKQRDAMYBRWGN-UHFFFAOYSA-N
Formula
C20H22N4O5
Mass
398.419
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
Styrenes 1,2,5-trisubstituted imidazoles Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Nitroimidazoles Nitroaromatic compounds N-substituted imidazoles Morpholines Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Styrene - Trisubstituted imidazole - Nitroimidazole - Imidazolyl carboxylic acid derivative - Benzoyl - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Morpholine - N-substituted imidazole - Oxazinane - Imidazole - Heteroaromatic compound - Azole - Organic nitro compound - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - C-nitro compound - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen 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