Compound Identification
SMILES
COC(=O)C1=CC(=CC(=C1)N1C(C)=CC(C(=O)C(=CC2=CC=C(O2)C2=CC=C(Br)C=C2)C#N)=C1C)C(=O)OC
InChIKey
InChIKey=SZXGJDPMJWCTRL-UHFFFAOYSA-N
Formula
C30H23BrN2O6
Mass
587.426
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
-
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 Phenylpyrroles Benzoic acid esters Aryl ketones Benzoyl derivatives Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Dicarboxylic acids and derivatives Vinylogous amides Acryloyl compounds Methyl esters Heteroaromatic compounds Furans Enones Oxacyclic compounds Azacyclic compounds Nitriles Organic oxides Organobromides Aldehydes Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - 1-phenylpyrrole - Benzoate ester - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Substituted pyrrole - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Methyl ester - Enone - Pyrrole - Furan - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Cyanide - 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