Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N(CC1=NN(C)N=N1)[C@@H]1[C@@H](O)[C@](C)(OC2=C1C=C(N)C=C2)C(OC)OC
InChIKey
InChIKey=JKELXRCPFMOQNL-FBLLAGFSSA-N
Formula
C25H32N6O6
Mass
512.567
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 Alkyl aryl ethers Aralkylamines Primary aromatic amines Tetrazoles Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Carboxylic acid esters Acetals Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
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 - Aralkylamine - Alkyl aryl ether - Primary aromatic amine - Heteroaromatic compound - Azole - Tetrazole - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Tertiary amine - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organooxygen compound - Primary amine - Organic oxide - Amine - 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