Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1=C(C=CC2=C1\C(=C\C1=C(OC)C=CN1)C(=O)N2)[N+]([O-])=O
InChIKey
InChIKey=IAMJEGDFHCXZCP-KAMYIIQDSA-N
Formula
C22H17N3O6
Mass
419.393
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
Indolines Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Methyl esters Lactams Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Indole or derivatives - Dihydroindole - Nitroaromatic compound - Benzoyl - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic 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