Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(=C1)C(=O)OCCN1C(=O)C2=CC=CC=C2C1=O)N1CCCCCC1
InChIKey
InChIKey=HCCDWHBIZFMSFC-UHFFFAOYSA-N
Formula
C23H23N3O6
Mass
437.452
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
Phthalimides Aminobenzoic acids and derivatives Benzoic acid esters Isoindoles Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Azepanes N-substituted carboxylic acid imides Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Phthalimide - Isoindolone - Aminobenzoic acid or derivatives - Benzoate ester - Isoindole or derivatives - Isoindole - Nitrobenzene - Isoindoline - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Azepane - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Tertiary amine - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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