Compound Identification
SMILES
COC(=O)C1=C(C=C(C)C(C(=O)OC(C)C)=C1C1=CC=CC=C1[N+]([O-])=O)N1CCOCC1
InChIKey
InChIKey=VVMUJAAMHDHMRD-UHFFFAOYSA-N
Formula
C23H26N2O7
Mass
442.468
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
Level 6
Phthalate esters
- Level 7 m-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
m-Phthalate esters
Alternative Parents
Biphenyls and derivatives M-phthalic acid and derivatives Phenylmorpholines Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Vinylogous amides Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Phenylmorpholine - Meta_phthalic_acid - Biphenyl - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Nitroaromatic compound - Toluene - Morpholine - Oxazinane - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available