Compound Identification
SMILES
CCOC(=O)C1=C(N)C=C(C2=C1COC2=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=YSITWVGYRYJRJK-UHFFFAOYSA-N
Formula
C17H14N2O6
Mass
342.307
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
-
Level 6
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
-
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
M-phthalic acid and derivatives Phthalides Nitrobenzenes Nitroaromatic compounds Vinylogous amides Amino acids and derivatives Carboxylic acid esters Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic zwitterions Organooxygen compounds Primary amines Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Phthalide - Isobenzofuranone - Nitrobenzene - Isocoumaran - Nitroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Primary amine - Organic zwitterion - Aromatic heteropolycyclic 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