Compound Identification
SMILES
OC(=O)C1=C(NC2=CC=CC=C2Cl)C(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=RBSLDBOPQNICON-UHFFFAOYSA-N
Formula
C13H9ClN2O4
Mass
292.68
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 Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Primary aromatic amines Vinylogous amides Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Secondary amines Organic salts Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Primary aromatic amine - Aryl halide - Vinylogous amide - Amino acid or derivatives - Organic nitro compound - Amino acid - C-nitro compound - Carboxylic acid - Organic oxoazanium - Carboxylic acid derivative - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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