Compound Identification
SMILES
C\C(=N/NC(=O)CCCCCN1C(=O)CCC1=O)C1=CC=C(C=C1)C(=O)N(CCCNCCN1C(=O)C2=CC=CC3=CC(=CC(C1=O)=C23)[N+]([O-])=O)CCN1C(=O)C2=CC=CC3=CC(=CC(C1=O)=C23)[N+]([O-])=O
InChIKey
InChIKey=VAAVUEKWMZHQEV-CJYLPWEZSA-N
Formula
C50H47N9O12
Mass
965.977
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
Isoquinolones and derivatives Benzamides Benzoyl derivatives Nitroaromatic compounds Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Tertiary carboxylic acid amides Dicarboximides Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Carbonyl compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitronaphthalene - Isoquinolone - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide, n-substituted - Pyrrolidine - Tertiary carboxylic acid amide - Carboxylic acid imide - Dicarboximide - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic zwitterion - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organonitrogen 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