Compound Identification
SMILES
CCOC(=O)NC1=NC(N)=C(C(NC\C(CNC2=CC=C(C=C2)C(=O)OCC)=N\O)=C1)[N+]([O-])=O
InChIKey
InChIKey=NKOKTVCDYBRJNX-VULFUBBASA-N
Formula
C20H25N7O7
Mass
475.462
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
Aminobenzoic acids and derivatives Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Carbamate esters Heteroaromatic compounds Ketoximes Carboxylic acid esters Organic carbonic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aminopyridine - Secondary aliphatic/aromatic amine - Imidolactam - Pyridine - Heteroaromatic compound - Ketoxime - Carbamic acid ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carbonic acid derivative - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Oxime - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic zwitterion - Organic oxide - 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