Compound Identification
SMILES
COC1=C(C=C(C(O)=O)C(NC2=CC3=C(CN(C3)C3=CC(Cl)=C(Cl)C=C3)C=C2)=C1)[N+]([O-])=O
InChIKey
InChIKey=BSGSZHGXTXQUJB-UHFFFAOYSA-N
Formula
C22H17Cl2N3O5
Mass
474.29
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
Nitrophenyl ethers P-methoxybenzoic acids and derivatives Aminobenzoic acids Benzoic acids Isoindoles Isoindolines Methoxyanilines Aminophenyl ethers Anisoles Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives Dichlorobenzenes Dialkylarylamines Phenoxy compounds Aralkylamines Alkyl aryl ethers Aryl chlorides Primary aromatic amines Vinylogous amides Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Organochlorides Organic oxides Organic zwitterions Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid - Isoindoline - Isoindole - Isoindole or derivatives - Nitrobenzene - Methoxyaniline - Phenoxy compound - Anisole - Nitroaromatic compound - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Aralkylamine - Alkyl aryl ether - Halobenzene - Aryl halide - Primary aromatic amine - Aryl chloride - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Organic nitro compound - Amino acid - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic 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