Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)N(C)CCC(CNC1=C(C(=O)N=C(N)N1)[N+]([O-])=O)=NNC(N)=O
InChIKey
InChIKey=CXHJNGTTXSBKRL-UHFFFAOYSA-N
Formula
C18H23N9O6
Mass
461.439
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 Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Pyrimidones Aminopyrimidines and derivatives Semicarbazones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Methyl esters Amino acids and derivatives Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Semicarbazone - Heteroaromatic compound - Vinylogous amide - Methyl ester - Semicarbazide - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Organic zwitterion - Organic nitrogen 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