Compound Identification
SMILES
C[C@H](OC(=O)C1=C(NCCO)C=CC(=C1)[N+]([O-])=O)C(=O)N1[C@@H](C)CC2=CC=CC=C12
InChIKey
InChIKey=MZOHZCXMIJYAAW-KBPBESRZSA-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 Indoles and derivatives Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Vinylogous amides Tertiary carboxylic acid amides Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Indole or derivatives - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Benzoyl - Secondary aliphatic/aromatic amine - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - 1,2-aminoalcohol - Organic nitro compound - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic salt - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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