Compound Identification
SMILES
Cl.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)=CN2C)C=C1C(=O)NCCC(N)=N
InChIKey
InChIKey=GTWUQEHZEOPNNX-UHFFFAOYSA-N
Formula
C22H25ClN8O5
Mass
516.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzamides Pyrrole carboxamides 2-heteroaryl carboxamides Benzoyl derivatives Nitroaromatic compounds N-methylpyrroles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organic oxoazanium compounds Organic zwitterions Organooxygen compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Benzoyl - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Amidine - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Carboximidamide - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - 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