Compound Identification
SMILES
[Ca++].CNC1=CC=CC=C1C([O-])=O.CNC1=CC=CC=C1C([O-])=O
InChIKey
InChIKey=VKCVUAQDUXJRPL-UHFFFAOYSA-L
Formula
C16H16CaN2O4
Mass
340.392
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
- Level 6 Aminobenzoic acids
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Level 5
Aminobenzoic acids 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
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzoic acids
Alternative Parents
Benzoic acids Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Vinylogous amides Carboxylic acid salts Amino acids Organic calcium salts Carboxylic acids Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Aminobenzoic acid - Benzoic acid - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors
Not available