Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)OCC(Cl)(Cl)Cl
InChIKey
InChIKey=AKLGFJKSTJZEAP-ONXXMXGDSA-N
Formula
C17H17Cl3N2O6
Mass
451.68
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
Benzoic acid esters Tropane alkaloids Piperidinecarboxylic acids Nitrobenzenes Pyrrolidine carboxylic acids Benzoyl derivatives Nitroaromatic compounds Carbamate esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Alkyl chlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Piperidinecarboxylic acid - Tropane alkaloid - Benzoyl - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Carbamic acid ester - Pyrrolidine - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organic oxide - Carbonyl group - Alkyl chloride - Organic salt - Organic cation - 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