Compound Identification
SMILES
COC1=C(OC)C=C(NC2=C(C=CC(Cl)=C2C(O)=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ZBHFGCUGJKEJPY-UHFFFAOYSA-N
Formula
C15H13ClN2O6
Mass
352.73
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
2-halobenzoic acids Aminobenzoic acids Dimethoxybenzenes Halobenzoic acids Aminophenyl ethers Benzoic acids Nitrobenzenes Methoxyanilines 1-carboxy-2-haloaromatic compounds Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Primary aromatic amines Aryl chlorides Vinylogous amides Vinylogous halides Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxides Organic salts Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Benzoic acid - Nitrobenzene - Methoxyaniline - Aniline or substituted anilines - Methoxybenzene - Phenol ether - 1-carboxy-2-haloaromatic compound - Benzoyl - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Vinylogous halide - Vinylogous amide - Amino acid - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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