Compound Identification
SMILES
CC(OC(=O)C1=CC(=C(NCCO)C=C1)[N+]([O-])=O)C(=O)N1CCCC2=CC=CC=C12
InChIKey
InChIKey=LTETVOLGPPBCPZ-UHFFFAOYSA-N
Formula
C21H23N3O6
Mass
413.43
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
Aminobenzoic acids and derivatives Benzoic acid esters Hydroquinolines Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Tertiary carboxylic acid amides Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Tetrahydroquinoline - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Tertiary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Alkanolamine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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