Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)OCCN1C(C)=NC=C1[N+]([O-])=O
InChIKey
InChIKey=OKZGYSZBFJKADZ-UHFFFAOYSA-N
Formula
C15H15N3O6
Mass
333.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 p-Phthalate esters
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Level 6
Phthalate esters
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Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives Benzoic acid esters 1,2,5-trisubstituted imidazoles Benzoyl derivatives Nitroaromatic compounds Nitroimidazoles N-substituted imidazoles Heteroaromatic compounds Methyl esters Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Benzoyl - Nitroimidazole - Trisubstituted imidazole - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available