Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)OC(C(=O)NC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=BUOCJSCXAQLNEI-UHFFFAOYSA-N
Formula
C22H16Cl2N2O6
Mass
475.28
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
P-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Phenylacetamides Benzyloxycarbonyls Anilides Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Dichlorobenzenes Methoxybenzenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Aryl chlorides Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Benzoate ester - Nitrobenzene - Anilide - Methoxyaniline - 1,3-dichlorobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - N-arylamide - Benzoyl - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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