Compound Identification
SMILES
CC1=CC=CC=C1C(=O)NNC1=NC=NC(NCCCN2C=CN=C2)=C1[N+]([O-])=O
InChIKey
InChIKey=QMDVEIAMVSECBK-UHFFFAOYSA-N
Formula
C18H20N8O3
Mass
396.411
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
Benzoic acids and derivatives
Alternative Parents
o-Toluamides Benzoyl derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Carboxylic acid hydrazides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Amines Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - O-toluamide - Toluamide - Nitroaromatic compound - Benzoyl - Aminopyrimidine - Toluene - Imidolactam - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available