Compound Identification
SMILES
NC1=C(C=NN1C1=CC(=CC(=C1)C(O)=O)C(O)=O)C#N
InChIKey
InChIKey=YRACTVCFGUJANX-UHFFFAOYSA-N
Formula
C12H8N4O4
Mass
272.22
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
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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
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Phenylpyrazoles Benzoic acids Benzoyl derivatives Heteroaromatic compounds Amino acids Nitriles Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta_phthalic_acid - Phenylpyrazole - Benzoic acid - Benzoyl - Azole - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Primary amine - Organic oxide - Aromatic heteromonocyclic 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