Compound Identification
SMILES
[O-]C(=O)C1=C(C=CC(=C1)[N+]([O-])=O)C(=O)OC[C@H]1CCC[NH+]2CCCC[C@@H]12
InChIKey
InChIKey=NTGMXMKDDRWXQC-WBMJQRKESA-N
Formula
C18H22N2O6
Mass
362.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Lupinine-type alkaloids Benzoic acid esters Quinolizines Quinolizidines Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Piperidines Quaternary ammonium salts Trialkylamines Carboxylic acid esters Carboxylic acid salts Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organooxygen compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Lupinine - Benzoate ester - Quinolizidine - Quinolizine - Benzoic acid - Alkaloid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Piperidine - Quaternary ammonium salt - Organic nitro compound - Carboxylic acid ester - Tertiary aliphatic amine - Carboxylic acid salt - C-nitro compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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