Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=CC=CC=C2C=NNC2=NC3=CC=CC=C3O2)C=C1
InChIKey
InChIKey=MMSPXKDZBVGYHW-UHFFFAOYSA-N
Formula
C23H19N3O4
Mass
401.422
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
Benzoxazoles Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Oxazoles Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrazones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoxazole - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Azole - Oxazole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrazone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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