Compound Identification
SMILES
NC1=C(O)C(=CC(=C1)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=JFTUSFFYSRNFBA-UHFFFAOYSA-N
Formula
C7H6N2O5
Mass
198.134
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted 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
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
3-aminosalicylic acids Aminosalicylic acids Aminobenzoic acids Salicylic acids Nitrophenols Benzoic acids Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives o-Aminophenols Aniline and substituted anilines Vinylogous acids Amino acids Organic oxoazanium compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Primary amines Hydrocarbon derivatives Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - 3-aminosalicylic acid - Aminosalicylic acid or derivatives - Aminosalicylic acid - Salicylic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Hydroxybenzoic acid - Nitrophenol - Salicylic acid - Benzoic acid - Nitrobenzene - Aminophenol - Aniline or substituted anilines - Benzoyl - Nitroaromatic compound - O-aminophenol - Phenol - Vinylogous acid - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available