Compound Identification
SMILES
C[C@@H]1CCCCN1C(=O)COC(=O)C1=C(N)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OPMJGEPHZUVJKC-SNVBAGLBSA-N
Formula
C15H19N3O5
Mass
321.333
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 N-acylpiperidines Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Primary amines Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - N-acyl-piperidine - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Piperidine - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Primary amine - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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