Compound Identification
SMILES
COC(OC)[C@@]1(C)OC2=C(C=C(N)C=C2)[C@@H]([C@H]1O)N(CC1=NN(C)N=N1)C1=CC=CC(=C1)C(=O)OC
InChIKey
InChIKey=OGRMGSHVFRNIQR-IMSXRSKXSA-N
Formula
C24H30N6O6
Mass
498.54
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
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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
1-benzopyrans Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aralkylamines Alkyl aryl ethers Primary aromatic amines Methyl esters Heteroaromatic compounds Tetrazoles 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Monocarboxylic acids and derivatives Acetals Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Aralkylamine - Primary aromatic amine - Azole - Methyl ester - Tetrazole - Heteroaromatic compound - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Primary amine - Alcohol - Organonitrogen 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