Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC1=C(C(NC2=C(OC)C=CC(OC)=C2)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=BFZWLFGMPUREGK-UHFFFAOYSA-N
Formula
C20H19N5O6
Mass
425.401
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
Dimethoxybenzenes Methoxyanilines Anisoles Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Methyl esters Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Organic oxoazanium compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dimethoxybenzene - P-dimethoxybenzene - Benzoate ester - Methoxyaniline - Phenol ether - Benzoyl - Aniline or substituted anilines - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Imidolactam - Methyl ester - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic zwitterion - 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