Compound Identification
SMILES
COC(=O)C1=CC(=C(NC2CCN(CC2)C(=O)OC(C)(C)C)C=C1C)[N+]([O-])=O
InChIKey
InChIKey=OCZNYSQCEDIGTD-UHFFFAOYSA-N
Formula
C19H27N3O6
Mass
393.44
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
Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Piperidinecarboxylic acids Nitrotoluenes Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Aminopiperidines Secondary alkylarylamines Methyl esters Carbamate esters Tertiary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Piperidinecarboxylic acid - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Benzoyl - Toluene - Secondary aliphatic/aromatic amine - 4-aminopiperidine - Piperidine - Methyl ester - Carbamic acid ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Amine - Organic zwitterion - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Aromatic heteromonocyclic 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