Compound Identification
SMILES
CCOC(=O)NC1=NC(NCC(CN(C)C2=CC=C(C=C2)C(=O)OC)=NO)=C(C(N)=C1)[N+]([O-])=O
InChIKey
InChIKey=POYPTSVKFJCZDF-UHFFFAOYSA-N
Formula
C20H25N7O7
Mass
475.462
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
Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyridines and derivatives Imidolactams Carbamate esters Heteroaromatic compounds Ketoximes Methyl esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Ketoxime - Carbamic acid ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxime - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Primary amine - Organic zwitterion - 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