Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(N2CN3C4CNC(C4)[C@@H]3C2=O)C2=CC=CC=C12
InChIKey
InChIKey=FUZZXDKADPYTTH-YYXKQKMLSA-N
Formula
C17H16N4O3
Mass
324.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Alpha amino acids and derivatives Imidazopyrazines Nitroaromatic compounds N-alkylpiperazines Imidazolidinones N-alkylpyrrolidines Tertiary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-nitronaphthalene - Alpha-amino acid or derivatives - Imidazopyrazine - Nitroaromatic compound - N-alkylpiperazine - 1,4-diazinane - Imidazolidinone - Piperazine - N-alkylpyrrolidine - Imidazolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary aliphatic amine - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Secondary amine - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors
Not available