Compound Identification
SMILES
COC1=C(OC)C=C(C(=C1)C(=O)OC(C)C(=O)NC1=CC(Cl)=CC(Cl)=C1)[N+]([O-])=O
InChIKey
InChIKey=QVIPSJSCIWIQRU-UHFFFAOYSA-N
Formula
C18H16Cl2N2O7
Mass
443.23
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
M-methoxybenzoic acids and derivatives Nitrophenyl ethers P-methoxybenzoic acids and derivatives Dimethoxybenzenes Benzoic acid esters Anilides Methoxyanilines Anisoles Nitroaromatic compounds N-arylamides Benzoyl derivatives Dichlorobenzenes Phenoxy compounds Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - P-methoxybenzoic acid or derivatives - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Dimethoxybenzene - Benzoate ester - O-dimethoxybenzene - Nitrobenzene - Anilide - Methoxyaniline - Nitroaromatic compound - Anisole - Phenol ether - N-arylamide - Phenoxy compound - Benzoyl - Methoxybenzene - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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