Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
InChIKey
InChIKey=UMQQXOPMXGZMCZ-GOEBONIOSA-O
Formula
C17H23N2O4
Mass
319.38
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
Lupinine-type alkaloids Quinolizines Quinolizidines Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Piperidines Quaternary ammonium salts Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lupinine - Nitrobenzoate - Benzoate ester - Quinolizidine - Quinolizine - Nitrobenzene - Alkaloid or derivatives - Nitroaromatic compound - Benzoyl - Piperidine - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Amine - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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