Compound Identification
SMILES
CCC1=NC(NCCOC(=O)C=C)=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C(NCCOC(=O)C=C)=N1
InChIKey
InChIKey=LFXUBZJVEHKJPB-UHFFFAOYSA-N
Formula
C22H25N7O6
Mass
483.485
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Aminopyrimidines and derivatives Acrylic acid esters Dicarboxylic acids and derivatives Imidolactams Enoate esters Heteroaromatic compounds Azo compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic salts Carbonyl compounds Organic zwitterions Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aminopyrimidine - Dicarboxylic acid or derivatives - Acrylic acid ester - Pyrimidine - Imidolactam - Acrylic acid or derivatives - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azo compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Amine - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available