Compound Identification
SMILES
CCOC(=O)NC1=NC(N)=C(C(NCC(=O)CNC2=CC=C(C=C2)C(=O)OCC)=C1)[N+]([O-])=O
InChIKey
InChIKey=PVHHZZONRGFPPH-UHFFFAOYSA-N
Formula
C20H24N6O7
Mass
460.447
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
-
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 Alpha-amino ketones Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Organic zwitterions Hydrocarbon derivatives
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 - Pyridine - Imidolactam - Alpha-aminoketone - Carbamic acid ester - Heteroaromatic compound - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Ketone - Carbonic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - 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