Compound Identification
SMILES
CC1=C(NC2=C(C=CC=C2C(O)=O)C(O)=O)C=C(Cl)C=C1
InChIKey
InChIKey=DNCGFBINLDJQEQ-UHFFFAOYSA-N
Formula
C15H12ClNO4
Mass
305.71
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 M-phthalic acid and derivatives
-
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
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Aminobenzoic acids Benzoic acids Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Primary aromatic amines Aryl chlorides Vinylogous amides Amino acids Carboxylic acids Secondary amines Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta_phthalic_acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Aminotoluene - Aniline or substituted anilines - Benzoyl - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Vinylogous amide - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available