Compound Identification
SMILES
OC(=O)C1=CC=C(NC2=C(C(NC34CC5CC(CC(C5)C3)C4)=NC=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=PVWBFOPMVHISFO-UHFFFAOYSA-N
Formula
C21H23N5O4
Mass
409.446
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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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
Benzoic acids
Alternative Parents
Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Amines Hydrocarbon derivatives Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available