Compound Identification
SMILES
CC1=CC(=C(N)C(=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=RRUISNJFUYWQKF-UHFFFAOYSA-N
Formula
C8H8N2O4
Mass
196.162
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
Aminobenzoic acids Benzoic acids Nitrobenzenes Nitrotoluenes Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Primary amines Hydrocarbon derivatives Organic oxides Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aminotoluene - Toluene - Vinylogous amide - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Amino acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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