Compound Identification
SMILES
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OCC3=CC=C(O)C=C3)OCC3=CC=C(C=C3)C(=O)OC(C)(C)C)O2)C(=O)NC1=O
InChIKey
InChIKey=ZPACZVOIRLRRGD-KZWKSOEZSA-N
Formula
C29H34N5O10P
Mass
643.59
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
Trialkyl phosphates Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Azo compounds Azo imides Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Trialkyl phosphate - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Oxolane - Vinylogous amide - Azo compound - Azo imide - Carboxylic acid ester - Lactam - Urea - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Organic zwitterion - Organic oxygen compound - 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